SCHEMBL4978588

SCHEMBL4978588

CS(=O)(=O)Cc1ccc(Nc2nccc(CNCn3c(NC(=O)Cc4cccc(F)c4)nc4ccccc43)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.43
SLC2A1 P11166 1/20 0.42
MET P08581 6/20 0.41
ROCK2 O75116 6/20 0.39
RET P07949 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL4980906 0.93 KDR (0.42) KDRSLC2A1METROCK2
SCHEMBL4977121 0.92 KDR (0.47) KDRSLC2A1METROCK2
SCHEMBL4980382 0.92 KDR (0.43) KDRSLC2A1METROCK2
SCHEMBL4976599 0.91 SLC2A1 (0.41) KDRSLC2A1METROCK2
SCHEMBL4978436 0.90 ROCK2 (0.43) KDRSLC2A1ROCK2
SCHEMBL4979259 0.89 KDR (0.42) KDRSLC2A1METROCK2RORC
SCHEMBL4978778 0.89 SLC2A1 (0.43) KDRSLC2A1METROCK2RORC
SCHEMBL4980536 0.89 SLC2A1 (0.43) KDRSLC2A1METROCK2
SCHEMBL4978451 0.89 KDM4E (0.45) KDRMETROCK2
SCHEMBL4979918 0.88 KDR (0.44) KDRMETRETPDGFRAFLT1

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 KDR 3/4885SLC2A1 2444/4885MET 324/4885

“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.