SCHEMBL6000021

SCHEMBL6000021

COc1cc(Cl)c(-c2cc(-c3cnc(NC(=O)NC4CCCC4)s3)nc(-c3cnccn3)n2)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 20/20 0.78
LIMK2 P53671 19/20 0.78
TESK2 Q96S53 6/20 0.64
TESK1 Q15569 5/20 0.64
MAPK14 Q16539 1/20 0.47

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
SCHEMBL6001933 0.89 LIMK1 (0.63) LIMK1LIMK2TESK2TESK1MAPK14
SCHEMBL6001701 0.88 LIMK1 (0.80) LIMK1LIMK2TESK2TESK1MAPK14
SCHEMBL6001332 0.88 LIMK1 (0.81) LIMK1LIMK2TESK2TESK1MAPK14
SCHEMBL12716290 0.88 LIMK1 (0.84) LIMK1LIMK2TESK2TESK1MAPK14
SCHEMBL6001579 0.88 LIMK1 (1.00) LIMK1LIMK2TESK2TESK1MAPK14
SCHEMBL5999974 0.87 LIMK1 (0.65) LIMK1LIMK2TESK2TESK1MAPK14
SCHEMBL6001410 0.86 LIMK1 (0.86) LIMK1LIMK2TESK2TESK1MAPK14
SCHEMBL12716196 0.86 LIMK1 (1.00) LIMK1LIMK2TESK2TESK1MAPK14
SCHEMBL6002150 0.85 LIMK1 (0.83) LIMK1LIMK2TESK2TESK1MAPK14
SCHEMBL12716285 0.82 LIMK1 (0.78) LIMK1LIMK2TESK2TESK1MAPK14

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 5 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-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 2/4885TESK2 790/4885
US-20060178388-A1 Phenyl-substituted pyrimidine compounds useful as kinase inhibitors LIMK1, LIMK2, MAPK1 LIMK1 1/4885LIMK2 2/4885TESK2 790/4885

“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.