SCHEMBL2386728

SCHEMBL2386728

CNC(=O)c1cnc(Cl)nc1Nc1cccc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 4/20 0.59
EGFR P00533 1/20 0.54
SYK P43405 14/20 0.53
AURKB Q96GD4 2/20 0.50
KCNH2 Q12809 2/20 0.50
ZAP70 P43403 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL4716452 0.88 EGFR (0.56) STAT6EGFRSYKAURKBKCNH2
SCHEMBL2386114 0.88 EGFR (0.56) STAT6EGFRSYKAURKBKCNH2
SCHEMBL2385591 0.86 SYK (0.69) STAT6SYKAURKBKCNH2ZAP70
SCHEMBL10250568 0.82 STAT6 (0.51) STAT6SYKAURKBKCNH2ZAP70
SCHEMBL2386230 0.82 SYK (0.59) EGFRSYKAURKBKCNH2ZAP70
SCHEMBL9945496 0.79 EGFR (0.61) EGFRSYKNFKB1
SCHEMBL30394764 0.79 EGFR (0.64) EGFRNFKB1
SCHEMBL9945497 0.79 EGFR (0.64) EGFRNFKB1
SCHEMBL9945499 0.79 EGFR (0.64) EGFRSYKNFKB1
SCHEMBL2388365 0.78 STAT6 (0.67) STAT6SYKAURKBKCNH2ZAP70

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-12-01 US disclosed
EP-1518855-B1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-10-26 EP disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative ASTELLAS PHARMA INC. (JP) 2005-12-08 US disclosed
EP-1518855-A1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-03-30 EP 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 (3 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-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE STAT6, STAT4, STAT3 STAT6 1/4885EGFR 2865/4885SYK 86/4885
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative STAT5A, STAT6, STAT4 STAT6 2/4885EGFR 2903/4885SYK 49/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 STAT6 1/4885EGFR 2865/4885SYK 86/4885

“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.