SCHEMBL4977994

SCHEMBL4977994

CN(c1cccc(S(C)(=O)=O)c1)c1nccc(N(C)c2cccc3c2nc(NC(=O)c2cccc(F)c2F)n3C)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 1/20 0.34
KDR P35968 7/20 0.33
CLK2 P49760 1/20 0.33
CDK9 P50750 1/20 0.33
MST1R Q04912 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
PARP1 P09874 3/20 0.31
KAT6A Q92794 2/20 0.31
KIF18A Q8NI77 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CCR1 P32246 1/20 0.30
RIPK1 Q13546 1/20 0.30
MLKL Q8NB16 1/20 0.30
RIPK3 Q9Y572 1/20 0.30

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
SCHEMBL4978204 0.89 CLK2 (0.35) EPHB4KDRCLK2CDK9MST1R
SCHEMBL4975127 0.84 EPHB4 (0.37) EPHB4KDRCLK2CDK9MST1R
SCHEMBL4978758 0.84 ALDH1A1 (0.38) EPHB4CLK2CDK9MST1RCLK4
SCHEMBL4978714 0.83 EPHB4 (0.38) EPHB4KDRCLK2CDK9MST1R
SCHEMBL4979936 0.83 EPHB4 (0.33) EPHB4KDRCLK2CDK9MST1R
SCHEMBL4981842 0.82 EPHB4 (0.35) EPHB4KDRCLK2CDK9MST1R
SCHEMBL4978203 0.80 KDR (0.38) EPHB4KDRRIPK1MLKLRIPK3
SCHEMBL4980547 0.80 KDR (0.34) KDRPARP1
SCHEMBL4981787 0.79 EPHB4 (0.39) EPHB4KDRCLK2CLK4CYP3A4
SCHEMBL4976580 0.79 MEN1 (0.38) EPHB4KDR

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-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
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP 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 EPHB4 535/4885KDR 3/4885CLK2 1327/4885

“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.