SCHEMBL4978714

SCHEMBL4978714

CCCC(=O)Nc1nc2c(N(C)c3ccnc(N(C)c4cccc(S(C)(=O)=O)c4)n3)cccc2n1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
KDR P35968 11/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2D6 P10635 4/20 0.33
CYP2C9 P11712 4/20 0.33
CYP2C19 P33261 4/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 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
LRRK2 Q5S007 1/20 0.32
FLT1 P17948 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4975127 0.94 EPHB4 (0.37) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL4981842 0.88 EPHB4 (0.35) EPHB4MAPK1KDRCYP3A4CYP2D6
SCHEMBL4976580 0.86 MEN1 (0.38) EPHB4ALDH1A1KDRMAPT
SCHEMBL4979936 0.85 EPHB4 (0.33) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL4980171 0.85 EPHB4 (0.33) EPHB4MAPK1KDRCYP3A4CYP2D6
SCHEMBL4978204 0.84 CLK2 (0.35) EPHB4ALDH1A1KDRCYP3A4CYP2D6
SCHEMBL4978758 0.83 ALDH1A1 (0.38) EPHB4ALDH1A1CLK2CDK9MST1R
SCHEMBL4977994 0.83 EPHB4 (0.34) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL4978203 0.83 KDR (0.38) EPHB4KDR
SCHEMBL4981787 0.81 EPHB4 (0.39) EPHB4KDRCYP3A4CYP2D6CYP2C9

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 535/4885ALDH1A1 994/4885MAPK1 2438/4885

“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.