SCHEMBL894903

SCHEMBL894903

CN1CCN(c2ccc(Nc3nc(-c4ccncc4)c(F)cc3C(N)=O)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.49
SYK P43405 4/20 0.48
BRD4 O60885 2/20 0.47
EGFR P00533 1/20 0.46
F12 P00748 1/20 0.46
STAT6 P42226 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
CCNT1 O60563 1/20 0.45
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CDK9 P50750 1/20 0.45
CDK6 Q00534 1/20 0.45
CDK11A Q9UQ88 1/20 0.45
EML4 Q9HC35 2/20 0.45
ALK Q9UM73 2/20 0.45
MAPKAPK5 Q8IW41 1/20 0.44
FLT3 P36888 2/20 0.44
RET P07949 1/20 0.44

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
SCHEMBL894905 0.88 SYK (0.52) BTKSYKBRD4STAT6CCNA2
SCHEMBL10169338 0.86 SYK (0.52) BTKSYKBRD4EGFRSTAT6
SCHEMBL894971 0.85 SYK (0.52) BTKSYKBRD4EGFRSTAT6
SCHEMBL893537 0.81 SYK (0.52) BTKSYKBRD4EGFRSTAT6
SCHEMBL10169167 0.77 SYK (0.56) BTKSYKBRD4STAT6CCNA2
SCHEMBL10169371 0.77 STAT6 (0.55) SYKSTAT6EML4ALKMAPKAPK5
SCHEMBL894840 0.74 STAT6 (0.55) SYKSTAT6MAPKAPK5
SCHEMBL10169425 0.74 FLT3 (0.55) BTKSYKBRD4EML4ALK
SCHEMBL25562047 0.74 EML4 (0.73) SYKEGFRCDK2CDK4EML4
SCHEMBL894714 0.74 SYK (0.55) SYKBRD4STAT6CCNA2CDK2

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 7 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
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

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 BTK 2/4885SYK 22/4885BRD4 271/4885

“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.