SCHEMBL10168690

SCHEMBL10168690

COc1nc(-c2ccccc2)cc(Nc2ccccc2)c1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.52
ACP1 P24666 6/20 0.48
ABCB1 P08183 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
SQOR Q9Y6N5 3/20 0.46
ABCC1 P33527 1/20 0.46
CDK1 P06493 1/20 0.44
LIMK1 P53667 1/20 0.42
PIK3CG P48736 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL10168705 0.84 AKR1C3 (0.42) PDE4BSQORSIRT2
SCHEMBL29442375 0.83 SQOR (0.62) SQORLIMK1
SCHEMBL10168707 0.82 S1PR1 (0.45) PDE4BSQORSIRT2SIRT1
SCHEMBL25148654 0.80 SQOR (0.50) SQORLIMK1
SCHEMBL25149086 0.80 SMN1; SMN2 (0.50) SQORCDK1LIMK1
SCHEMBL5765632 0.77 MAPK8 (0.47)
SCHEMBL25149336 0.74 SQOR (0.49) SQORLIMK1
SCHEMBL25149434 0.73 SQOR (0.51) SQORLIMK1
SCHEMBL4060916 0.73 ACP1 (0.50) PDE4BACP1ABCB1ABCG2SQOR
SCHEMBL25148764 0.73 SMN1; SMN2 (0.54) SQOR

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 PDE4B 620/4885ACP1 483/4885ABCB1 1746/4885

“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.