SCHEMBL4409254

SCHEMBL4409254

Nc1nc(-c2cnc(NC3CCC(O)CC3)s2)cc(-c2ccccc2Cl)n1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.69
LIMK1 P53667 2/20 0.48
LIMK2 P53671 2/20 0.48
NUDT1 P36639 1/20 0.47
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PDE2A O00408 1/20 0.39
PDE10A Q9Y233 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
SCHEMBL4409259 1.00 MAPK14 (0.69) MAPK14LIMK1LIMK2NUDT1HSP90AA1
SCHEMBL1617454 0.91 MAPK14 (0.73) MAPK14LIMK1LIMK2NUDT1HSP90AA1
SCHEMBL1617118 0.88 MAPK14 (0.66) MAPK14LIMK1LIMK2NUDT1HSP90AA1
SCHEMBL4551619 0.82 MAPK14 (1.00) MAPK14LIMK1LIMK2
SCHEMBL4405299 0.81 MAPK14 (0.55) MAPK14
SCHEMBL4406006 0.78 MAPK14 (1.00) MAPK14LIMK1LIMK2
SCHEMBL1616715 0.78 MAPK14 (1.00) MAPK14LIMK1LIMK2HSP90AA1HSP90AB1
SCHEMBL12716007 0.76 MAPK14 (0.65) MAPK14LIMK1LIMK2HSP90AA1HSP90AB1
SCHEMBL1616666 0.75 MAPK14 (0.77) MAPK14LIMK1LIMK2
SCHEMBL1617259 0.74 MAPK14 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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

“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.