SCHEMBL1617396

SCHEMBL1617396

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.61
LIMK1 P53667 1/20 0.61
LIMK2 P53671 1/20 0.61
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
DGAT1 O75907 1/20 0.43
USP2 O75604 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
NOS2 P35228 2/20 0.42
NOS1 P29475 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
P2RY12 Q9H244 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL1616706 0.88 MAPK14 (0.65) MAPK14LIMK1LIMK2
SCHEMBL4405299 0.87 MAPK14 (0.55) MAPK14MAPK8MAPK9MAPK10DGAT1
SCHEMBL5999967 0.84 MAPK14 (0.70) MAPK14LIMK1LIMK2MEN1KMT2A
SCHEMBL12715597 0.80 MAPK14 (0.53) MAPK14LIMK1LIMK2
SCHEMBL4411939 0.79 MAPK14 (0.79) MAPK14LIMK1LIMK2
SCHEMBL12716026 0.77 MAPK14 (0.52) MAPK14LIMK1LIMK2MEN1KMT2A
SCHEMBL12745904 0.77 MAPK14 (0.56) MAPK14LIMK1LIMK2MEN1KMT2A
SCHEMBL4403756 0.77 MAPK14 (1.00) MAPK14LIMK1LIMK2
SCHEMBL1617148 0.74 MAPK14 (0.71) MAPK14LIMK1LIMK2
SCHEMBL12715803 0.73 MAPK14 (0.64) MAPK14LIMK1LIMK2MAPK8MAPK9

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 8 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
EP-1848714-A2 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-10-31 EP disclosed
WO-2006084017-A2 PHENYL-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-10 WO 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 83/4885LIMK1 1/4885LIMK2 2/4885
US-20060178388-A1 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors LIMK1, LIMK2, MAPK1 MAPK14 83/4885LIMK1 1/4885LIMK2 2/4885

“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.