SCHEMBL894633

SCHEMBL894633

O=C(O)c1cc(F)c(Cl)nc1Nc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
DHODH Q02127 4/20 0.52
CSNK2A1 P68400 3/20 0.46
CSNK2A2 P19784 2/20 0.46
CSNK2B P67870 2/20 0.46
GSK3B P49841 2/20 0.43
CDC7 O00311 1/20 0.43
DAPK3 O43293 1/20 0.43
PAK4 O96013 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43
FLT3 P36888 1/20 0.43
CDK9 P50750 1/20 0.43
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
MELK Q14680 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
STK17A Q9UEE5 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
SCHEMBL24279936 0.91 KEAP1 (0.55) KEAP1NFE2L2DHODHCSNK2A1CSNK2A2
SCHEMBL894667 0.87 MAPK9 (0.47) KEAP1NFE2L2DHODHCSNK2A1CSNK2A2
SCHEMBL10550257 0.85 DHODH (0.55) DHODHCSNK2A1CSNK2A2CSNK2BGSK3B
SCHEMBL10547236 0.83 KEAP1 (0.53) KEAP1NFE2L2DHODHCSNK2A1RAB9A
SCHEMBL22833443 0.80 KEAP1 (0.49) KEAP1NFE2L2DHODHRAB9ASMN1; SMN2
SCHEMBL29383260 0.80 KEAP1 (0.49) KEAP1NFE2L2DHODHRAB9ASMN1; SMN2
SCHEMBL26047886 0.76 KEAP1 (0.50) KEAP1NFE2L2DHODH
SCHEMBL27659429 0.76 KEAP1 (0.50) KEAP1NFE2L2DHODHDYRK1AMEN1
SCHEMBL15638933 0.75 DHODH (0.64) DHODHCSNK2A1CSNK2A2CSNK2BGSK3B
SCHEMBL29536666 0.74 KEAP1 (0.48) KEAP1NFE2L2DHODHCSNK2A1

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 KEAP1 1497/4885NFE2L2 1423/4885DHODH 1470/4885

“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.