SCHEMBL894743

SCHEMBL894743

COC(=O)c1ccc(Nc2nc(Cl)ccc2C(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.54
KDR P35968 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 3/20 0.46
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46
ROCK1 Q13464 1/20 0.46
DHODH Q02127 1/20 0.46
PDE5A O76074 1/20 0.45
ABCC1 P33527 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
EGFR P00533 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MKNK1 Q9BUB5 1/20 0.43

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
SCHEMBL894573 0.85 GAA (0.46) KDRKMT2AMEN1MAPTCDC25A
SCHEMBL15688239 0.81 MAPT (0.51) KDRKMT2AMEN1KDM4EHPGD
SCHEMBL893716 0.80 SYK (0.49) KMT2AMEN1KDM4EMAPTROCK1
SCHEMBL893867 0.79 SYK (0.51) EGFRJAK2JAK1
SCHEMBL16597565 0.78 DHODH (0.47) SIRT2KDRKMT2AMEN1KDM4E
SCHEMBL894676 0.77 CCNT1 (0.51) KMT2AHPGDBTKJAK2
SCHEMBL894686 0.77 SYK (0.50) KMT2AMEN1KDM4EHPGDMAPT
SCHEMBL21671950 0.77 MAPT (0.58) KDRKMT2AMEN1KDM4EHPGD
SCHEMBL16676790 0.76 MEN1 (0.54) KMT2AMEN1BTKJAK2JAK1
SCHEMBL893942 0.75 BTK (0.65) HPGDRXFP1EGFRBTKJAK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440204-B1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-12-18 EP disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
EP-2440204-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS Bristol-Myers Squibb Company (US) 2012-04-18 EP disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
WO-2010144647-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-16 WO disclosed
WO-2010144647-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-16 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 (1 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT SIRT2 24/4885KDR 1463/4885KMT2A 2299/4885

“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.