SCHEMBL631823

SCHEMBL631823

CNS(=O)(=O)Cc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 2/20 0.43
RECQL P46063 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
GFER P55789 1/20 0.41
GAA P10253 1/20 0.41
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
CA4 P22748 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39

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 SCHEMBL5893984 0.98 RECQL (0.46) CYP3A4TSHRALDH1A1TDP1CA1
SCHEMBL955244 0.83 PSIP1 (0.48) CA1CA2CA12CA9CA14
SCHEMBL10494691 0.82 CA12 (0.46) CYP3A4TSHRALDH1A1TDP1CA1
SCHEMBL8261072 0.81 HPGD (0.48) CA1CA2ALKBH5MMP1MMP2
SCHEMBL9046172 0.81 GAA (0.48) ALDH1A1CA1CA2CA12CA9
SCHEMBL1275321 0.80 RECQL (0.58) CYP3A4TSHRALDH1A1TDP1CA1
SCHEMBL4849335 0.80 HPGD (0.44) ALDH1A1CA1CA2CA12CA9
SCHEMBL18571403 0.80 BCHE (0.41) ALDH1A1ALKBH5GAALMNAHTT
SCHEMBL6788840 0.80 ESR1 (0.45) ALDH1A1CA1CA2ALKBH5MMP1
SCHEMBL24140260 0.79 HPGD (0.47) CYP3A4ALDH1A1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108963389-A It is a kind of for lithium-air battery can gelling system and its preparation method and application 北京师范大学 2018-12-07 CN claimed
CN-106281776-A The prilling process of cleaning product special enzyme preparation 山西勇宁记科技有限公司 2017-01-04 CN claimed
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors ASTEX TECHNOLOGY, INC. (GB) 2006-06-22 US claimed
JP-2006500348-A 2006-01-05 JP claimed
EP-1534685-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS Astex Technology Limited (GB) 2005-06-01 EP claimed
WO-2004014864-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-02-19 WO claimed
US-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2025-07-10 US disclosed
EP-4504730-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 Dana-Farber Cancer Institute, Inc. (US) 2025-02-12 EP disclosed
CN-119365454-A Discovery of covalent EGFR inhibitors through cysteine 775 丹娜-法伯癌症研究院 2025-01-24 CN disclosed
WO-2023196409-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-12 WO disclosed
WO-2021262910-A2 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
EP-3228614-B1 BENZYLSULFAMIDE SUBSTITUTED ACRYLAMIDE DERIVATIVE QINGDAO LANFAN ADVANCED MAT CO LTD (CN) 2020-11-11 EP disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 US disclosed
WO-1994025023-A1 USE OF INDOLE DERIVATIVES AS 5HT1 ANTAGONISTS PFIZER INC. (US) 1994-11-10 WO disclosed
US-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US disclosed
WO-1992006973-A1 INDOLE DERIVATIVES PFIZER INC. (US) 1992-04-30 WO disclosed
EP-0225726-B1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-04-17 EP disclosed
US-4833153-A VASOCONSTRICTORS, MIGRAINES GLAXO GROUP LIMITED (GB) 1989-05-23 US disclosed
US-4816470-A Heterocyclic compounds GLAXO GROUP LIMITED 1989-03-28 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-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CYP3A4 4148/4885TSHR 1024/4885ALDH1A1 4184/4885
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors CCNC, CDK1, CDK7 CYP3A4 2228/4885TSHR 317/4885ALDH1A1 4215/4885
US-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 EGFR, ERBB2, ERBB3 CYP3A4 4714/4885TSHR 1348/4885ALDH1A1 2954/4885

“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.