SCHEMBL15534628

SCHEMBL15534628

CC(C)(C)[Si](C)(C)OCC1Cc2ncc(Br)cc2N(Cc2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.36
CACNA1G O43497 3/20 0.35
CACNA1H O95180 3/20 0.35
CACNA1I Q9P0X4 2/20 0.35
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
TEAD1 P28347 2/20 0.32
GRM2 Q14416 1/20 0.32
KMT2A Q03164 1/20 0.31
SIRT1 Q96EB6 3/20 0.31
SIRT2 Q8IXJ6 2/20 0.31
TOP2A P11388 1/20 0.31
THRB P10828 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15530736 0.88 MTNR1A (0.33) BRD4CACNA1GCACNA1HCACNA1IMTNR1A
SCHEMBL16823998 0.84 BRD4 (0.37) BRD4CACNA1GCACNA1HCACNA1IMTNR1A
SCHEMBL15531490 0.83 RORC (0.41) CACNA1GCACNA1HCACNA1IMTNR1AMTNR1B
SCHEMBL15530603 0.83 MTNR1A (0.32) MTNR1AMTNR1BSIRT1SIRT2
SCHEMBL19518064 0.82 MTNR1A (0.35) BRD4CACNA1GCACNA1HCACNA1IMTNR1A
SCHEMBL16664555 0.82 BRD4 (0.37) BRD4CACNA1GCACNA1HCACNA1IMTNR1A
SCHEMBL15530672 0.81 RORC (0.49)
SCHEMBL15530105 0.80 BRD4 (0.41) BRD4CACNA1GCACNA1HCACNA1IMTNR1A
SCHEMBL8563909 0.79 MTNR1A (0.53) BRD4CACNA1GCACNA1HCACNA1IMTNR1A
SCHEMBL8563914 0.79 MTNR1A (0.53) BRD4CACNA1GCACNA1HCACNA1IMTNR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2020-08-18 US disclosed
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2019-09-26 US disclosed
US-10377768-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2019-08-13 US disclosed
US-10221146-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2019-03-05 US disclosed
US-20180030005-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2018-02-01 US disclosed
US-20180030005-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2018-02-01 US disclosed
EP-2846804-B1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME (US) 2017-11-29 EP disclosed
EP-2846804-B1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME (US) 2017-11-29 EP disclosed
US-9809561-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-9809561-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2017-11-02 US disclosed
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2017-11-02 US disclosed
US-9657033-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORγ activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-23 US disclosed
US-9657033-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORγ activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-23 US disclosed
US-20160304476-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-20 US disclosed
US-20160304476-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-20 US disclosed
US-20150111877-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2015-04-23 US disclosed
US-20150111877-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2015-04-23 US disclosed
EP-2846804-A2 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE Merck Sharp & Dohme Corp. (US) 2015-03-18 EP disclosed
WO-2013169704-A2 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2013-11-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180030005-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC BRD4 224/4885CACNA1G 867/4885CACNA1H 1163/4885
US-10377768-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORC, RORB, RORA BRD4 120/4885CACNA1G 1821/4885CACNA1H 2113/4885
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC BRD4 224/4885CACNA1G 867/4885CACNA1H 1163/4885
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA BRD4 120/4885CACNA1G 1821/4885CACNA1H 2113/4885
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC BRD4 224/4885CACNA1G 867/4885CACNA1H 1163/4885
US-20160304476-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC BRD4 224/4885CACNA1G 867/4885CACNA1H 1163/4885
US-20150111877-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA BRD4 120/4885CACNA1G 1821/4885CACNA1H 2113/4885
US-10221146-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC BRD4 245/4885CACNA1G 801/4885CACNA1H 1086/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.