SCHEMBL3076266

SCHEMBL3076266

NC(=O)c1cccc(-c2cnco2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.61
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MYC P01106 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
HDAC4 P56524 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
PARP1 P09874 2/20 0.48
BRAF P15056 1/20 0.46
CCNT1 O60563 1/20 0.46
CCND1 P24385 1/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
CDK7 P50613 1/20 0.46

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
SCHEMBL940586 0.87 KEAP1 (0.59) MAP4K4MEN1KMT2ANPC1RAB9A
SCHEMBL4249325 0.86 MEN1 (0.55) MAP4K4MEN1KMT2ANPC1RAB9A
SCHEMBL13702383 0.82 NPC1 (0.52) MAP4K4MEN1KMT2ANPC1RAB9A
SCHEMBL4245857 0.82 EDNRA (0.55) MAP4K4MEN1KMT2ANPC1RAB9A
SCHEMBL1010203 0.81 MYC (0.62) MAP4K4MEN1KMT2AMYCNPC1
SCHEMBL2158739 0.80 KMT2A (0.75) MAP4K4MEN1KMT2ALMNAPKM
SCHEMBL13701629 0.79 IMPDH2 (0.53) MAP4K4MEN1KMT2ANPC1RAB9A
SCHEMBL22280601 0.79 SMN1; SMN2 (0.57) MAP4K4MEN1KMT2ANPC1RAB9A
SCHEMBL13702109 0.79 ERN1 (0.49) MAP4K4MEN1KMT2ANPC1RAB9A
SCHEMBL4993759 0.77 KEAP1 (0.73) MYCPARP1KEAP1

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 34 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
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US disclosed
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 US disclosed
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO disclosed
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 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 (2 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-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors CCNC, CDK1, CDK7 MAP4K4 1268/4885MEN1 3516/4885KMT2A 1773/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA MAP4K4 2887/4885MEN1 4770/4885KMT2A 1689/4885

“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.