SCHEMBL1617310

SCHEMBL1617310

CSc1nc(-c2cnc(CC(C)C)s2)cc(-c2ccccc2CNC(=O)OC(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.44
PDPK1 O15530 1/20 0.42
MAPK14 Q16539 4/20 0.40
KDM4A O75164 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ACACB O00763 3/20 0.33
ACACA Q13085 2/20 0.33
NAMPT P43490 1/20 0.33
DYRK1A Q13627 1/20 0.33
GLS O94925 3/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL12715761 0.87 KCNA5 (0.44) KCNA5PDPK1MAPK14KDM4AALOX5AP
SCHEMBL1617129 0.86 MAPK14 (0.55) KCNA5PDPK1MAPK14KDM4A
SCHEMBL1617184 0.85 MAPK14 (0.55) KCNA5MAPK14
SCHEMBL12715760 0.84 KCNA5 (0.41) KCNA5PDPK1MAPK14KDM4AALOX5AP
SCHEMBL12715763 0.84 MAPK14 (0.59) KCNA5PDPK1MAPK14KDM4AALOX5AP
SCHEMBL1617350 0.80 MAPK14 (0.36) MAPK14
SCHEMBL12715438 0.76 MAPK14 (0.52) KCNA5PDPK1MAPK14KDM4AALOX5AP
SCHEMBL1615771 0.74 MAPK14 (0.54) KCNA5MAPK14ALOX5APFEN1
SCHEMBL4408144 0.74 MAPK14 (0.56) KCNA5PDPK1MAPK14KDM4A
SCHEMBL12715895 0.73 MAPK14 (0.62) KCNA5MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923556-B2 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-12 US disclosed
US-7923556-B2 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-12 US disclosed
US-20100029649-A1 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-02-04 US disclosed
US-20100029649-A1 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-02-04 US disclosed
EP-1848714-B1 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-12-30 EP disclosed
US-20060178388-A1 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-08-10 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 (2 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-20100029649-A1 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS LIMK1, LIMK2, MAPK1 KCNA5 3251/4885PDPK1 116/4885MAPK14 83/4885
US-20060178388-A1 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors LIMK1, LIMK2, MAPK1 KCNA5 3251/4885PDPK1 116/4885MAPK14 83/4885

“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.