SCHEMBL4409128

SCHEMBL4409128

CCCNc1ncc(-c2cc(-c3c(C)cc(OCc4ccccc4)cc3C)nc(-c3cccnc3)n2)s1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 13/20 0.52
LIMK2 P53671 11/20 0.52
MAPK14 Q16539 7/20 0.48
TESK2 Q96S53 2/20 0.44
TESK1 Q15569 1/20 0.44

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
SCHEMBL4404250 0.92 LIMK1 (0.51) LIMK1LIMK2MAPK14
SCHEMBL4409174 0.89 LIMK1 (0.66) LIMK1LIMK2MAPK14TESK2TESK1
SCHEMBL4405454 0.87 MAPK14 (0.64) LIMK1LIMK2MAPK14TESK2
SCHEMBL4410919 0.86 MAPK14 (0.59) LIMK1LIMK2MAPK14
SCHEMBL6001384 0.83 LIMK1 (0.67) LIMK1LIMK2TESK2TESK1
SCHEMBL4409194 0.80 LIMK1 (0.81) LIMK1LIMK2MAPK14
SCHEMBL4416597 0.80 MAPK14 (0.44) LIMK1LIMK2MAPK14
SCHEMBL4407051 0.79 LIMK1 (0.75) LIMK1LIMK2MAPK14
SCHEMBL4414795 0.77 MAPK14 (0.62) LIMK1LIMK2MAPK14
SCHEMBL4408329 0.76 LIMK1 (0.66) LIMK1LIMK2MAPK14TESK2TESK1

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.