SCHEMBL15530256

SCHEMBL15530256

CC(C)(C)OC(=O)Nc1cnc2c(c1)NCC(C(C)(C)O[SiH2]C(C)(C)C)C2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.39
EPHX2 P34913 1/20 0.34
BRD4 O60885 2/20 0.33
CREBBP Q92793 2/20 0.33
MAP4K4 O95819 1/20 0.33
NAMPT P43490 1/20 0.33
CYP17A1 P05093 2/20 0.32
DGAT1 O75907 2/20 0.32
MAPKAPK2 P49137 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL16851153 0.76 RORC (0.40) RORCEPHX2BRD4CREBBPMAP4K4
SCHEMBL15530254 0.73 RORC (0.41) RORCEPHX2BRD4CREBBPNAMPT
SCHEMBL15530673 0.73 RORC (0.51) RORC
SCHEMBL19518071 0.73 EPHX2 (0.51) RORCEPHX2
SCHEMBL15530253 0.73 RORC (0.38) RORCEPHX2BRD4CREBBPNAMPT
SCHEMBL16664578 0.73 RORC (0.40) RORCEPHX2BRD4CREBBPNAMPT
SCHEMBL16651550 0.72 RORC (0.73) RORC
SCHEMBL31714452 0.71 RORC (0.43) RORCBRD4CREBBPMAP4K4NAMPT
SCHEMBL16664406 0.70 RORC (0.39) RORCEPHX2BRD4CREBBPMAP4K4
SCHEMBL16851378 0.69 RORC (0.51) RORCBRD4CREBBPMAP4K4NAMPT

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 14 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
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-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-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
WO-2015095795-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE, AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO 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 RORC 3/4885EPHX2 553/4885BRD4 224/4885
US-10377768-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORC, RORB, RORA RORC 1/4885EPHX2 2176/4885BRD4 120/4885
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC RORC 3/4885EPHX2 553/4885BRD4 224/4885
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA RORC 1/4885EPHX2 2176/4885BRD4 120/4885
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC RORC 3/4885EPHX2 553/4885BRD4 224/4885
US-20160304476-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC RORC 3/4885EPHX2 553/4885BRD4 224/4885
US-20150111877-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA RORC 1/4885EPHX2 2176/4885BRD4 120/4885
US-10221146-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC RORC 3/4885EPHX2 618/4885BRD4 245/4885

“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.