SCHEMBL77025

SCHEMBL77025

Nc1ccc(Cn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 1.00
CYP11B2 P19099 12/20 1.00
CYP19A1 P11511 7/20 0.70
CYP2A6 P11509 1/20 0.70
CYP2B6 P20813 1/20 0.70
CYP1A2 P05177 1/20 0.67
POLB P06746 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
MAPT P10636 1/20 0.67
TBXAS1 P24557 1/20 0.67
QPCT Q16769 1/20 0.67
CYP4Z1 Q86W10 1/20 0.67
QPCTL Q9NXS2 1/20 0.67
CYP17A1 P05093 1/20 0.64

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
Hydrochloric Acid SCHEMBL30946847 0.98 CYP11B1 (0.96) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL6488945 0.95 CYP11B1 (0.90) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL1024261 0.90 CYP11B1 (0.84) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL1775141 0.88 CYP11B1 (0.81) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL7284368 0.85 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL6057476 0.84 CYP11B1 (0.75) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2529997 0.84 CYP11B1 (0.86) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Ethoxycarbonyl Group SCHEMBL27679354 0.83 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL570342 0.82 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2729830 0.82 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6

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 316 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861256-B Preparation method and application of 16, 17-dihydroxysteroid compound 天津药业研究院股份有限公司 2025-06-17 CN claimed
CN-117503807-A Preparation process of cordyceps militaris powder 江西仙客来生物科技有限公司 2024-02-06 CN claimed
CN-116478344-A Water-based single-component epoxy emulsion and preparation method thereof 万华化学集团股份有限公司 2023-07-25 CN claimed
CN-112581856-B Temperature indicating label 苏州和萃新材料有限公司 2022-07-19 CN claimed
CN-113861256-A Preparation method and application of 16, 17-dihydroxysteroid compound 天津药业研究院股份有限公司 2021-12-31 CN claimed
CN-113789086-A High-temperature color-changing ink and label 江苏集萃智能液晶科技有限公司 2021-12-14 CN claimed
CN-109065832-B Method for growing protective layer on surface of metal negative electrode of secondary lithium battery 武汉船用电力推进装置研究所(中国船舶重工集团公司第七一二研究所) 2021-07-09 CN claimed
CN-112581856-A Temperature indicating label 苏州和萃新材料有限公司 2021-03-30 CN claimed
CN-110343205-A Side group functionalized polyisobutylene base thermoplastic elastomer and preparation method thereof 北京化工大学 2019-10-18 CN claimed
CN-109336756-A A kind of hydrogenation-dehalogenation method of halogenated aromatic 河南大学 2019-02-15 CN claimed
CN-109065832-A A method of in serondary lithium battery metal negative electrode surface growth protecting layer 武汉船用电力推进装置研究所(中国船舶重工集团公司第七二研究所) 2018-12-21 CN claimed
CN-105176528-B A kind of preparation method of nitrogen-doped carbon based quantum dot 中物院成都科学技术发展中心 2018-02-23 CN claimed
EP-2611797-B1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO LTD (KR) 2016-12-28 EP claimed
CN-105176528-A Preparation method of nitrogen doped carbon based quantum dot UNIV CHENGDU 2015-12-23 CN claimed
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 US claimed
EP-2611797-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS Hanmi Science Co., Ltd. (KR) 2013-07-10 EP claimed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 US claimed
WO-2012030160-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI HOLDINGS CO., LTD. (KR) 2012-03-08 WO 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

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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 CYP11B1 328/4885CYP11B2 336/4885CYP19A1 543/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 CYP11B1 328/4885CYP11B2 336/4885CYP19A1 543/4885
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS CASP7, API5, BAX CYP11B1 3978/4885CYP11B2 3908/4885CYP19A1 3692/4885

“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.