SCHEMBL6302514

SCHEMBL6302514

NC(=O)c1ccc(Cn2ccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.68
CYP11B1 P15538 7/20 0.63
CYP11B2 P19099 6/20 0.63
TBXAS1 P24557 5/20 0.61
CYP2A6 P11509 1/20 0.60
CYP2B6 P20813 1/20 0.60
CYP1A2 P05177 2/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
MEN1 O00255 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL4701021 0.85 CYP19A1 (0.70) CYP19A1CYP11B1CYP11B2TBXAS1CYP2A6
SCHEMBL4492287 0.85 CYP19A1 (0.75) CYP19A1CYP11B1CYP11B2TBXAS1CYP2A6
SCHEMBL6308819 0.84 TBXAS1 (0.65) CYP19A1TBXAS1KMT2A
SCHEMBL31481149 0.84 TBXAS1 (0.64) CYP19A1CYP11B1CYP11B2TBXAS1CYP2A6
Hydrochloric Acid SCHEMBL9853939 0.84 CYP19A1 (0.73) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL12639833 0.84 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2TBXAS1CYP2A6
SCHEMBL1024261 0.82 CYP11B1 (0.84) CYP19A1CYP11B1CYP11B2TBXAS1CYP2A6
SCHEMBL773135 0.81 CYP11B1 (0.59) CYP19A1CYP11B1CYP11B2TBXAS1CYP2A6
SCHEMBL773136 0.81 CYP11B1 (0.59) CYP19A1CYP11B1CYP11B2TBXAS1CYP2A6
SCHEMBL2926364 0.81 CYP19A1 (0.78) CYP19A1CYP11B1CYP11B2TBXAS1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12344623-B2 Thiazolopyridine derivatives as adenosine receptor antagonists DOMAIN THERAPEUTICS SA (FR) 2025-07-01 US claimed
US-20220119412-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-04-21 US claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
US-12344623-B2 Thiazolopyridine derivatives as adenosine receptor antagonists DOMAIN THERAPEUTICS SA (FR) 2025-07-01 US disclosed
US-20220119412-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-04-21 US disclosed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 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 (4 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 CYP19A1 543/4885CYP11B1 328/4885CYP11B2 336/4885
US-12344623-B2 Thiazolopyridine derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 CYP19A1 3132/4885CYP11B1 1256/4885CYP11B2 1074/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 CYP19A1 543/4885CYP11B1 328/4885CYP11B2 336/4885
US-20220119412-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 CYP19A1 3132/4885CYP11B1 1256/4885CYP11B2 1074/4885

“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.