SCHEMBL4980906

SCHEMBL4980906

CS(=O)(=O)Cc1ccc(Nc2nccc(CNCn3c(NC(=O)Cc4ccc(F)cc4)nc4ccccc43)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.42
MET P08581 4/20 0.41
SLC2A1 P11166 1/20 0.40
IKBKB O14920 1/20 0.39
LMNA P02545 4/20 0.38
OPRK1 P41145 1/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
ROCK2 O75116 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4977121 0.95 KDR (0.47) KDRMETSLC2A1IKBKBLMNA
SCHEMBL4978588 0.93 KDR (0.43) KDRMETSLC2A1ROCK2
SCHEMBL4978451 0.93 KDM4E (0.45) KDRMETIKBKBLMNAOPRK1
SCHEMBL4976599 0.92 SLC2A1 (0.41) KDRMETSLC2A1ROCK2KDM4E
SCHEMBL4978778 0.92 SLC2A1 (0.43) KDRMETSLC2A1LMNAROCK2
SCHEMBL4979259 0.91 KDR (0.42) KDRMETSLC2A1IKBKBLMNA
SCHEMBL4980536 0.90 SLC2A1 (0.43) KDRMETSLC2A1ROCK2
SCHEMBL4978436 0.89 ROCK2 (0.43) KDRSLC2A1LMNAROCK2KDM4E
SCHEMBL4978076 0.89 NOD1 (0.44) KDRSLC2A1LMNAROCK2KDM4E
SCHEMBL4980382 0.89 KDR (0.43) KDRMETSLC2A1IKBKBLMNA

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
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

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 3/4885MET 324/4885SLC2A1 2444/4885

“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.