SCHEMBL4405299

SCHEMBL4405299

CCOC(=O)N1CCC(Nc2ncc(-c3cc(-c4ccccc4Cl)nc(N)n3)s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.55
NOS2 P35228 3/20 0.46
NOS1 P29475 2/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
CDK1 P06493 3/20 0.46
CDK4 P11802 3/20 0.46
CCND1 P24385 3/20 0.46
CDK2 P24941 3/20 0.46
USP2 O75604 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45
MAP4K4 O95819 1/20 0.44
DGAT1 O75907 1/20 0.43
NOS3 P29474 1/20 0.43

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
SCHEMBL1617396 0.87 MAPK14 (0.61) MAPK14NOS2NOS1MAPK8MAPK9
SCHEMBL1617454 0.81 MAPK14 (0.73) MAPK14
SCHEMBL4409259 0.81 MAPK14 (0.69) MAPK14
SCHEMBL4409254 0.81 MAPK14 (0.69) MAPK14
SCHEMBL13593860 0.80 USP2 (0.44) MAPK14NOS2NOS1MAPK8MAPK9
SCHEMBL1617118 0.79 MAPK14 (0.66) MAPK14
SCHEMBL12715597 0.78 MAPK14 (0.53) MAPK14
SCHEMBL15757225 0.77 NUDT1 (0.66) NOS2NOS1MAPK8MAPK9MAPK10
SCHEMBL1617211 0.74 MAPK14 (0.57) MAPK14
SCHEMBL1616706 0.74 MAPK14 (0.65) MAPK14

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 4 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-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 MAPK14 83/4885NOS2 1798/4885NOS1 1238/4885
US-20060178388-A1 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors LIMK1, LIMK2, MAPK1 MAPK14 83/4885NOS2 1798/4885NOS1 1238/4885

“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.