SCHEMBL4408762

SCHEMBL4408762

Nc1nc(-c2cnc(NCCCN3CCOCC3)s2)cc(-c2ccccc2Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.56
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LIMK1 P53667 2/20 0.45
LIMK2 P53671 2/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
FGFR1 P11362 2/20 0.43
SRC P12931 2/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 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
SCHEMBL4408720 0.95 MAPK14 (0.58) MAPK14CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL1617329 0.83 MAPK14 (0.61) MAPK14CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL1616666 0.80 MAPK14 (0.77) MAPK14LIMK1LIMK2
SCHEMBL1617066 0.79 MAPK14 (0.70) MAPK14CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL1617433 0.79 MAPK14 (0.65) MAPK14LIMK1LIMK2
SCHEMBL13593865 0.78 CYP1A2 (0.45) CYP1A2CYP2C19ALDH1A1TSHRALOX15
SCHEMBL5999966 0.78 MAPK14 (0.71) MAPK14LIMK1LIMK2
SCHEMBL1616715 0.73 MAPK14 (1.00) MAPK14LIMK1LIMK2
SCHEMBL1617049 0.72 MAPK14 (0.66) MAPK14LIMK1LIMK2
SCHEMBL1617256 0.72 MAPK14 (0.67) 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 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 83/4885CYP1A2 2870/4885CYP2C19 2706/4885
US-20060178388-A1 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors LIMK1, LIMK2, MAPK1 MAPK14 83/4885CYP1A2 2870/4885CYP2C19 2706/4885

“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.