SCHEMBL6001556

SCHEMBL6001556

CCCNc1ncc(-c2cc(-c3c(Cl)cc(O)cc3Cl)nc(-c3cnccn3)n2)s1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 15/20 0.80
LIMK2 P53671 14/20 0.80
MAPK14 Q16539 5/20 0.58

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
SCHEMBL6001594 0.89 LIMK1 (0.69) LIMK1LIMK2
SCHEMBL6001351 0.89 LIMK1 (1.00) LIMK1LIMK2MAPK14
SCHEMBL4408656 0.89 LIMK1 (1.00) LIMK1LIMK2MAPK14
SCHEMBL1617307 0.89 LIMK1 (1.00) LIMK1LIMK2MAPK14
SCHEMBL4405954 0.88 LIMK1 (0.87) LIMK1LIMK2MAPK14
SCHEMBL4405492 0.86 LIMK1 (1.00) LIMK1LIMK2MAPK14
SCHEMBL4409194 0.86 LIMK1 (0.81) LIMK1LIMK2MAPK14
SCHEMBL4409171 0.83 MAPK14 (0.82) LIMK1LIMK2MAPK14
SCHEMBL4399829 0.83 LIMK1 (1.00) LIMK1LIMK2MAPK14
SCHEMBL4405168 0.83 LIMK1 (0.80) LIMK1LIMK2MAPK14

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 6 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
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 LIMK1 1/4885LIMK2 2/4885MAPK14 83/4885
US-20060178388-A1 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors LIMK1, LIMK2, MAPK1 LIMK1 1/4885LIMK2 2/4885MAPK14 83/4885

“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.