SCHEMBL4978730

SCHEMBL4978730

CN(c1ccc2c(c1)nc(Nc1ccc(F)cc1)n2C)c1ccnc(Nc2cccc(S(=O)(=O)NOC(=O)C(F)(F)F)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.56
CYP3A4 P08684 7/20 0.56
CYP2D6 P10635 7/20 0.56
CYP2C9 P11712 7/20 0.56
CYP2C19 P33261 7/20 0.56
RIPK1 Q13546 2/20 0.48
MLKL Q8NB16 2/20 0.48
RIPK3 Q9Y572 2/20 0.48
AURKA O14965 1/20 0.48
KIT P10721 6/20 0.45
PDGFRA P16234 6/20 0.45

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
SCHEMBL4982211 0.95 KDR (0.58) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4981675 0.93 KDR (0.55) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4981213 0.89 KDR (0.49) KDRCYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL4978725 0.87 KDR (0.68) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4979412 0.87 KDR (0.46) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4978500 0.85 KDR (0.77) KDRCYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL5228412 0.85 KDR (0.53) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4980411 0.85 KDR (0.50) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4978241 0.84 KDR (0.49) KDRCYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL4980405 0.84 KDR (0.52) KDRCYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP 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

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 KDR 3/4885CYP3A4 3874/4885CYP2D6 3399/4885

“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.