SCHEMBL1617259

SCHEMBL1617259

Clc1ccccc1-c1cc(-c2cnc(NC3CCNCC3)s2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.61
CYP1A2 P05177 3/20 0.51
CLK4 Q9HAZ1 2/20 0.51
MEN1 O00255 2/20 0.51
CYP2D6 P10635 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C19 P33261 1/20 0.51
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48
LIMK1 P53667 2/20 0.43
LIMK2 P53671 2/20 0.43
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1617118 0.87 MAPK14 (0.66) MAPK14CYP1A2CLK4MEN1CYP2D6
SCHEMBL1617211 0.81 MAPK14 (0.57) MAPK14CYP1A2CYP2C19LIMK1LIMK2
SCHEMBL5999967 0.79 MAPK14 (0.70) MAPK14CYP1A2CLK4MEN1CYP2D6
SCHEMBL1617147 0.77 MAPK14 (0.63) MAPK14LIMK1LIMK2
SCHEMBL1617454 0.77 MAPK14 (0.73) MAPK14LIMK1LIMK2
SCHEMBL4404426 0.76 MAPK14 (1.00) MAPK14LIMK1LIMK2
SCHEMBL4551619 0.76 MAPK14 (1.00) MAPK14LIMK1LIMK2
SCHEMBL4406006 0.74 MAPK14 (1.00) MAPK14LIMK1LIMK2
SCHEMBL4409259 0.74 MAPK14 (0.69) MAPK14LIMK1LIMK2
SCHEMBL4409254 0.74 MAPK14 (0.69) 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 9 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
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 83/4885CYP1A2 2870/4885CLK4 326/4885
US-20060178388-A1 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors LIMK1, LIMK2, MAPK1 MAPK14 83/4885CYP1A2 2870/4885CLK4 326/4885

“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.