SCHEMBL1617201

SCHEMBL1617201

CC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3Cl)nc(N3CCN(C)CC3)n2)s1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.52
LIMK1 P53667 4/20 0.49
LIMK2 P53671 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
HTR3A P46098 1/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL1616686 0.88 MAPK14 (0.68) MAPK14LIMK1LIMK2HRH4
SCHEMBL1616846 0.84 MAPK14 (0.48) MAPK14LIMK1LIMK2
SCHEMBL6001599 0.81 MAPK14 (0.57) MAPK14LIMK1LIMK2
SCHEMBL6000012 0.79 MAPK14 (0.55) MAPK14LIMK1LIMK2
SCHEMBL1615972 0.78 MAPK14 (0.56) MAPK14LIMK1LIMK2
SCHEMBL1616563 0.77 MAPK14 (0.59) MAPK14LIMK1LIMK2
SCHEMBL1617256 0.77 MAPK14 (0.67) MAPK14LIMK1LIMK2
SCHEMBL1616133 0.77 MAPK14 (0.61) MAPK14LIMK1LIMK2
SCHEMBL1617242 0.77 MAPK14 (0.61) MAPK14LIMK1LIMK2
SCHEMBL13593841 0.77 MAPK14 (0.78) MAPK14LIMK1LIMK2

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 11 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-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
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-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.