SCHEMBL10168705

SCHEMBL10168705

COc1nc(Cl)cc(Nc2ccccc2)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK9 P45984 2/20 0.40
CXCR2 P25025 1/20 0.40
MAPK8 P45983 1/20 0.40
PDE4B Q07343 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
SQOR Q9Y6N5 1/20 0.39
GAA P10253 1/20 0.39
IGF1R P08069 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL10168690 0.84 PDE4B (0.52) PDE4BSQORSIRT2
SCHEMBL10168707 0.84 S1PR1 (0.45) AKR1C3AKR1C2POLBHSD17B10MAPT
SCHEMBL31361069 0.82 CXCR2 (0.44) POLBHSD17B10MAPTALOX15CXCR2
SCHEMBL10168708 0.82 CXCR2 (0.44) POLBHSD17B10MAPTALOX15CXCR2
SCHEMBL31361067 0.82 CXCR2 (0.44) POLBHSD17B10MAPTALOX15CXCR2
SCHEMBL5765632 0.78 MAPK8 (0.47) POLBMAPTMAPK9MAPK8KDM4E
SCHEMBL10168724 0.74 MAPT (0.47) AKR1C3AKR1C2HSD17B10MAPTALOX15
SCHEMBL15096265 0.70 SYK (0.68) HSD17B10MAPTALOX15CXCR2KDM4E
SCHEMBL22093298 0.69 CXCR2 (0.44) HSD17B10MAPTALOX15CXCR2KDM4E
SCHEMBL21596400 0.69 JAK3 (0.55) MAPTPDE4BSIRT2GFER

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 AKR1C3 1386/4885AKR1C2 1631/4885POLB 2024/4885

“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.