SCHEMBL658145

SCHEMBL658145

Nc1cccc(-c2cnco2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 1.00
MEN1 O00255 2/20 0.64
KMT2A Q03164 1/20 0.64
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
PTK2 Q05397 1/20 0.50
PSIP1 O75475 1/20 0.50
AXL P30530 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
NOTUM Q6P988 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
HDAC4 P56524 1/20 0.47
MAOA P21397 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL29722919 1.00 MAP4K4 (1.00) MAP4K4MEN1KMT2ACYP11B1CYP11B2
SCHEMBL2158739 0.86 KMT2A (0.75) MAP4K4MEN1KMT2ACYP11B1CYP11B2
SCHEMBL13151143 0.81 MAP4K4 (0.68) MAP4K4MEN1KMT2ACYP11B1CYP11B2
SCHEMBL16238083 0.80 MAP4K4 (0.67) MAP4K4MEN1KMT2ACYP11B1CYP11B2
SCHEMBL29808221 0.79 KMT2A (0.66) MAP4K4MEN1KMT2ACYP11B1CYP11B2
SCHEMBL13724463 0.78 MAP4K4 (0.61) MAP4K4MEN1KMT2ACYP11B1CYP11B2
SCHEMBL9955698 0.78 MEN1 (0.64) MAP4K4MEN1KMT2ACYP11B1CYP11B2
SCHEMBL3147405 0.78 MEN1 (0.64) MAP4K4MEN1KMT2ACYP11B1CYP11B2
SCHEMBL7980113 0.78 MEN1 (0.64) MAP4K4MEN1KMT2ACYP11B1CYP11B2
SCHEMBL3510121 0.78 MEN1 (0.64) MAP4K4MEN1KMT2ACYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
EP-1919875-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS Astex Therapeutics Limited (GB) 2008-05-14 EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
WO-2006136829-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO 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
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO claimed
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO claimed
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 US disclosed
CN-118206529-A Dihydrobenzimidazolone C4医药公司 2024-06-18 CN disclosed
US-20240109889-A1 DIHYDROBENZIMIDAZOLONES FOR MEDICAL TREATMENT C4 THERAPEUTICS, INC. (US) 2024-04-04 US disclosed
CN-111315735-B Dihydrobenzimidazolone C4医药公司 2024-03-08 CN disclosed
EP-0672037-B1 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS GLAXO GROUP LTD (GB) 1998-07-08 EP disclosed
US-5569654-A ADMINISTERING AS ANTAGONISTS OF GASTRIN AND CHOLECYSTOKININ GLAXO GROUP LIMITED (GB) 1996-10-29 US disclosed
EP-0672037-A1 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS GLAXO GROUP LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013648-A1 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS GLAXO GROUP LIMITED (GB) 1994-06-23 WO 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-20240109889-A1 DIHYDROBENZIMIDAZOLONES FOR MEDICAL TREATMENT CRBN, CUL4A, ADRM1 MAP4K4 2512/4885MEN1 2663/4885KMT2A 1817/4885
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors CCNC, CDK1, CDK7 MAP4K4 1268/4885MEN1 3516/4885KMT2A 1773/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 MAP4K4 2677/4885MEN1 3390/4885KMT2A 2425/4885

“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.