SCHEMBL10169494

SCHEMBL10169494

CNc1nc(N2CCOCC2)c(F)cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
FPR2 P25090 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
KDM4E B2RXH2 2/20 0.42
STAT6 P42226 7/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK9 P45984 2/20 0.41
MAPK10 P53779 2/20 0.41
HTT P42858 1/20 0.40
SYK P43405 2/20 0.40
MAPK1 P28482 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL10169541 0.90 BTK (0.40) BTKKDM4EALDH1A1HTTSYK
SCHEMBL10169484 0.88 JAK2 (0.39) BTKKDM4EALDH1A1HTTSYK
SCHEMBL10169396 0.76 BTK (0.49) BTKAURKARPS6KB1KDM4EALDH1A1
SCHEMBL15635822 0.75 GPR6 (0.43) KDM4EALDH1A1MTOR
SCHEMBL10169530 0.73 BTK (0.44) BTK
SCHEMBL10169371 0.72 STAT6 (0.55) STAT6SYKMAPK1
SCHEMBL893637 0.71 BTK (0.48) BTKSTAT6ALDH1A1SYK
SCHEMBL24611900 0.70 AURKA (0.48) AURKARPS6KB1KDM4ESTAT6HTT
SCHEMBL13550617 0.70 KDM4E (0.60) AURKARPS6KB1KDM4EALDH1A1HTT
SCHEMBL30402068 0.70 AURKA (0.48) AURKARPS6KB1KDM4ESTAT6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2/4885FPR2 1513/4885AURKA 1645/4885

“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.