SCHEMBL16651489

SCHEMBL16651489

NCC1Oc2ncccc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ PARP1 P09874 1/20 0.34
▸ OTUD7B Q6GQQ9 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ XIAP P98170 1/20 0.33
▸ BIRC2 Q13490 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ LTA4H P09960 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ BLM P54132 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
SCHEMBL26462499 0.81 GSK3B (0.38) GSK3BPARP1OTUD7BKMT2AMEN1
SCHEMBL24086608 0.76 PARP1 (0.56) GSK3BPARP1OTUD7BCYP1A2SMN1; SMN2
SCHEMBL19255556 0.75 GSK3B (0.43) GSK3BPARP1OTUD7BALDH1A1CYP1A2
SCHEMBL31477334 0.71 GSK3B (0.34) GSK3BIDO1PARP1OTUD7BKMT2A
SCHEMBL22663513 0.70 GAA (0.48) KMT2ASMN1; SMN2HPGDGAAMAPT
SCHEMBL16652167 0.69 LTA4H (0.36) LTA4H
Hydrochloric Acid SCHEMBL4799304 0.69 GSK3B (0.37) GSK3BOTUD7BKMT2AMEN1CYP1A2
SCHEMBL16427955 0.64 CYP1A2 (0.39) GSK3BOTUD7BKMT2AMEN1ALDH1A1
SCHEMBL279914 0.62 CYP11B1 (0.44) GSK3BPARP1OTUD7BKMT2ACYP1A2
SCHEMBL29561576 0.62 CYP11B1 (0.44) GSK3BPARP1OTUD7BKMT2ACYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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

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

For each of this compound's patents that has machine-readable text (3 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-10377768-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORC, RORB, RORA GSK3B 372/4885IDO1 770/4885PARP1 3453/4885
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA GSK3B 372/4885IDO1 770/4885PARP1 3453/4885
US-20150111877-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA GSK3B 372/4885IDO1 770/4885PARP1 3453/4885

“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.

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