SCHEMBL4980382

SCHEMBL4980382

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.43
ROCK2 O75116 3/20 0.42
MET P08581 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NOD2 Q9HC29 1/20 0.40
SLC2A1 P11166 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IKBKB O14920 1/20 0.37
NOD1 Q9Y239 1/20 0.37

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
SCHEMBL4978451 0.93 KDM4E (0.45) KDRROCK2METKDM4EALDH1A1
SCHEMBL4978436 0.92 ROCK2 (0.43) KDRROCK2KDM4EALDH1A1NOD2
SCHEMBL4977121 0.92 KDR (0.47) KDRROCK2METKDM4EALDH1A1
SCHEMBL4978588 0.92 KDR (0.43) KDRROCK2METSLC2A1
SCHEMBL4981233 0.91 KDM4E (0.41) KDRROCK2METKDM4EALDH1A1
SCHEMBL4976572 0.90 KDR (0.46) KDRROCK2MET
SCHEMBL4979259 0.89 KDR (0.42) KDRROCK2METKDM4EALDH1A1
SCHEMBL4978076 0.89 NOD1 (0.44) KDRROCK2KDM4EALDH1A1NOD2
SCHEMBL4980906 0.89 KDR (0.42) KDRROCK2METKDM4EALDH1A1
SCHEMBL4976588 0.87 ALDH1A1 (0.42) KDRROCK2KDM4EALDH1A1SLC2A1

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 3/4885ROCK2 721/4885MET 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.