SCHEMBL4980913

SCHEMBL4980913

CN(c1ccc(S(C)(=O)=O)cc1)c1nccc(N(C)c2cccc3c2nc(NC(=O)Cc2ccc(F)cc2)n3C)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.40
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
ADORA2A P29274 1/20 0.34
PARP1 P09874 1/20 0.34
CACNA1H O95180 2/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
CCR1 P32246 1/20 0.34
RORC P51449 3/20 0.34
MAPK14 Q16539 2/20 0.34
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL4977130 0.93 KDR (0.46) KDRALDH1A1ADORA2APARP1RORC
SCHEMBL4978469 0.92 KDR (0.40) KDRADORA2APARP1CACNA1HCACNA1G
SCHEMBL4976614 0.90 KDR (0.35) KDRPTGS1PTGS2PARP1
SCHEMBL4979266 0.89 KDR (0.40) KDRADORA2APARP1RORCMAPK14
SCHEMBL4978443 0.89 KDR (0.39) KDRALDH1A1RORC
SCHEMBL4978787 0.89 LMNA (0.38) KDRPTGS1PTGS2ALDH1A1PARP1
SCHEMBL4978627 0.88 KDR (0.38) KDRPTGS1PTGS2PARP1RORC
SCHEMBL4980547 0.88 KDR (0.34) KDRPTGS1PTGS2ALDH1A1PARP1
SCHEMBL4980390 0.88 KDR (0.40) KDRADORA2APARP1RORC
SCHEMBL4976597 0.86 KDR (0.37) KDRALDH1A1ADORA2A

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 3/4885PTGS1 1609/4885PTGS2 685/4885

“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.