SCHEMBL4978451

SCHEMBL4978451

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
NOD2 Q9HC29 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NOD1 Q9Y239 3/20 0.43
GSK3B P49841 1/20 0.42
KDR P35968 3/20 0.42
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42
AKT1 P31749 1/20 0.41
PTK2 Q05397 1/20 0.41
MET P08581 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IKBKB O14920 1/20 0.39
OPRK1 P41145 1/20 0.38
MAPT P10636 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
SCHEMBL4977121 0.95 KDR (0.47) KDM4ENOD2ALDH1A1GSK3BKDR
SCHEMBL4980382 0.93 KDR (0.43) KDM4ENOD2ALDH1A1NOD1KDR
SCHEMBL4980906 0.93 KDR (0.42) KDM4EALDH1A1KDRMETIKBKB
SCHEMBL4981233 0.92 KDM4E (0.41) KDM4ENOD2ALDH1A1NOD1KDR
SCHEMBL4978436 0.92 ROCK2 (0.43) KDM4ENOD2ALDH1A1KDRPTK2
SCHEMBL4978076 0.92 NOD1 (0.44) KDM4ENOD2ALDH1A1NOD1KDR
SCHEMBL4979259 0.91 KDR (0.42) KDM4ENOD2ALDH1A1KDRPTK2
SCHEMBL4978778 0.89 SLC2A1 (0.43) KDM4ENOD2ALDH1A1KDRMET
SCHEMBL4978588 0.89 KDR (0.43) KDRMETROCK2
SCHEMBL6635296 0.89 HTT (0.45) KDM4ENOD1KDRMEN1HPGD

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 KDM4E 617/4885NOD2 2563/4885ALDH1A1 994/4885

“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.