SCHEMBL4976246

SCHEMBL4976246

COc1ccc(OC)c(CC(=O)Nc2nc3cc(N(C)c4ccnc(N(C)c5ccc(S(C)(=O)=O)cc5)n4)ccc3n2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.38
MAPK8 P45983 5/20 0.37
MAPK9 P45984 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDR P35968 1/20 0.37
PKM P14618 1/20 0.36
CSNK1D P48730 1/20 0.36
GLS O94925 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
ROCK2 O75116 1/20 0.35
NPC1 O15118 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK10 P53779 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35

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
SCHEMBL4976782 0.91 L3MBTL1 (0.39) CYP3A4CYP2D6CYP2C9CYP2C19KDR
SCHEMBL4983378 0.89 KDR (0.40) GFERCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4978452 0.88 PKM (0.43) CYP3A4CYP2D6CYP2C9CYP2C19KDR
SCHEMBL4978796 0.88 KDR (0.38) CYP3A4CYP2D6CYP2C9CYP2C19KDR
SCHEMBL4978332 0.88 ROCK1 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19KDR
SCHEMBL4976240 0.82 KDR (0.50) CYP3A4CYP2D6CYP2C9CYP2C19KDR
SCHEMBL6637801 0.78 KDR (0.38) CYP3A4CYP2D6CYP2C9CYP2C19KDR
SCHEMBL4977096 0.77 KDR (0.40) CYP3A4CYP2D6CYP2C9CYP2C19KDR
SCHEMBL5226379 0.75 KDR (0.41) CYP3A4CYP2D6CYP2C9CYP2C19KDR
SCHEMBL4981198 0.74 KDR (0.36) CYP3A4CYP2D6CYP2C9CYP2C19KDR

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-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US claimed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 US claimed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 US disclosed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO 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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR GFER 4275/4885MAPK8 1818/4885MAPK9 2486/4885

“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.