SCHEMBL505597

SCHEMBL505597

Nc1cccc2c1OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.50
GSK3B P49841 1/20 0.40
EED O75530 3/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
CYP19A1 P11511 1/20 0.37
CHEK1 O14757 1/20 0.37
CHEK2 O96017 1/20 0.37
BAD Q92934 1/20 0.37
MGAM O43451 1/20 0.36
AMY1A P0DUB6 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36

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 SCHEMBL30411035 0.98 ABCG2 (0.48) ABCG2GSK3BEEDCHRNB4CHRNA3
SCHEMBL29778855 0.82 ITGB2 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4MAPK1
SCHEMBL253657 0.82 ITGB2 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4MAPK1
Hydrochloric Acid SCHEMBL2483570 0.80 ITGB2 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4GAA
SCHEMBL7706503 0.78 CHRNB4 (0.41) CHRNB4CHRNA3CHRNB2CHRNA4MAOB
SCHEMBL28167594 0.78 ABCG2 (0.63) ABCG2PKMTSHRCYP19A1MAPK1
SCHEMBL29713706 0.77 JAK2 (0.40) ABCG2TSHRCYP19A1GAATXNRD1
SCHEMBL7594061 0.76 ABCG2 (0.55) ABCG2GSK3BEEDTTBK1TTBK2
SCHEMBL25910897 0.75 CHEK1 (0.40) ABCG2GSK3BEEDTTBK1TTBK2
SCHEMBL30521296 0.74 ABCG2 (0.52) ABCG2GSK3BEEDTTBK1TTBK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed
US-12466809-B2 CDK2/5 degraders and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-11-11 US disclosed
EP-3947368-B1 BIFUNCTIONAL COMPOUNDS COMPRISING A CDK2/5 LIGAND, A LINKER AND A E3 UBIQUITIN LIGASE BINDING DEGRON FOR THE TREATMENT OF CANCER DANA FARBER CANCER INST INC (US) 2025-09-03 EP disclosed
WO-2025036382-A1 SULFONAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海复宏汉霖生物医药有限公司 2025-02-20 WO disclosed
US-20250034135-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF Hangzhou Healzen Therapeutics Co., Ltd. (CN) 2025-01-30 US disclosed
CN-119156230-A Ligand-drug conjugates and uses thereof 江苏先声药业有限公司 2024-12-17 CN disclosed
CN-115697993-B Pyrimidine compounds as AXL inhibitors 南京正大天晴制药有限公司 2024-12-10 CN disclosed
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 US disclosed
CN-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 CN disclosed
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-11-14 US disclosed
EP-0805812-A1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ(E)ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS Abbott Laboratories (US) 1997-11-12 EP disclosed
WO-1997031897-A1 NOVEL N-SUBSTITUTED 4-((4'-AMINOBENZOYL)-OXYMETHYL)-PIPERIDINES HAVING GASTRIC PROKINETIC PROPERTIES JANSSEN PHARMACEUTICA N.V. (BE) 1997-09-04 WO disclosed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO disclosed
WO-1996022991-A1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 WO disclosed
WO-1995005080-A1 3-(BICYCLIC HETEROCYCLYL)-6-FLUOROALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed
US-5346881-A Herbicides FMC CORPORATION (US) 1994-09-13 US disclosed
EP-0099339-B1 CONDENSED N-PHENYLSULFONYL-N'-PYRIMIDINYL AND TRIAZINYL UREA CIBA-GEIGY AG (CH) 1987-01-07 EP disclosed
US-4634465-A PRE- AND POSTEMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1987-01-06 US disclosed
WO-1986000303-A1 TWO-ALKYL-SULPHONYL-1,4-DIAMINOBENZENES, PREPARATION THEREOF AND UTILISATION THEREOF WELLA AKTIENGESELLSCHAFT (DE) 1986-01-16 WO disclosed
EP-0099339-A2 Condensed N-phenylsulfonyl-N'-pyrimidinyl and triazinyl urea CIBA-GEIGY AG (CH) 1984-01-25 EP 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-12466809-B2 CDK2/5 degraders and uses thereof CDK2, CDK5, CDK5R1 ABCG2 3500/4885GSK3B 544/4885EED 1149/4885
US-20250034135-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF BCL2, BAX, BCL2L1 ABCG2 2529/4885GSK3B 686/4885EED 3728/4885
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 ABCG2 364/4885GSK3B 1251/4885EED 3445/4885
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A ABCG2 1797/4885GSK3B 497/4885EED 3541/4885

“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.