SCHEMBL4980144

SCHEMBL4980144

CNS(=O)(=O)CCc1ccc(Nc2nccc(N(C)c3ccc4c(c3)nc(NCc3cccc(F)c3)n4C)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.48
CYP3A4 P08684 7/20 0.48
CYP2D6 P10635 7/20 0.48
CYP2C9 P11712 7/20 0.48
CYP2C19 P33261 7/20 0.48
KIT P10721 4/20 0.46
PDGFRA P16234 4/20 0.46
NTRK1 P04629 2/20 0.43
ABCB11 O95342 2/20 0.39
BMPR1B O00238 1/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
GAK O14976 1/20 0.39
EPHB6 O15197 1/20 0.39
ABCC4 O15439 1/20 0.39
RIPK2 O43353 1/20 0.39
CA12 O43570 1/20 0.39
PIP5K1C O60331 1/20 0.39
JAK2 O60674 1/20 0.39
STK16 O75716 1/20 0.39

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
Hydrochloric Acid SCHEMBL5223883 0.99 KDR (0.48) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4982731 0.93 KDR (0.47) KDRCYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4978697 0.92 KDR (0.47) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4980676 0.92 KDR (0.49) KDRCYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4976689 0.92 KDR (0.49) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4983918 0.89 KDR (0.54) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14263449 0.89 KDR (0.53) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4980468 0.89 KDR (0.47) KDRCYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4980395 0.88 KDR (0.54) KDRCYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4980745 0.88 KDR (0.47) 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 12 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
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP claimed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 US claimed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP claimed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO claimed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
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 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.