SCHEMBL4980171

SCHEMBL4980171

Cc1cc(CC(=O)Nc2nc3c(N(C)c4ccnc(N(C)c5cccc(S(C)(=O)=O)c5)n4)cccc3n2C)on1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 2/20 0.33
KDR P35968 4/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
MAPK1 P28482 1/20 0.31
P2RX7 Q99572 1/20 0.31
PAK1 Q13153 1/20 0.31
VHL P40337 1/20 0.31
IDO1 P14902 1/20 0.31
CRHR1 P34998 1/20 0.30
CLK2 P49760 1/20 0.30
CDK9 P50750 1/20 0.30
MST1R Q04912 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL4976672 0.94 KDR (0.35) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL4975127 0.87 EPHB4 (0.37) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL4978714 0.85 EPHB4 (0.38) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL4976580 0.84 MEN1 (0.38) EPHB4KDR
SCHEMBL4979936 0.83 EPHB4 (0.33) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL4981842 0.81 EPHB4 (0.35) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL4978204 0.81 CLK2 (0.35) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL4978203 0.81 KDR (0.38) EPHB4KDR
SCHEMBL4979266 0.80 KDR (0.40) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4977130 0.79 KDR (0.46) KDR

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 EPHB4 535/4885KDR 3/4885CYP3A4 3874/4885

“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.