SCHEMBL4977130

SCHEMBL4977130

CN(c1ccc(S(C)(=O)=O)cc1)c1nccc(N(C)c2cccc3c2nc(NC(=O)Cc2ccccc2)n3C)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.46
MAPK14 Q16539 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RORC P51449 1/20 0.37
LMNA P02545 1/20 0.37
ADORA2A P29274 1/20 0.36
PARP1 P09874 1/20 0.35
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL4980913 0.93 KDR (0.40) KDRMAPK14ALDH1A1RORCADORA2A
SCHEMBL4978469 0.93 KDR (0.40) KDRMEN1KMT2ARORCLMNA
SCHEMBL4980390 0.92 KDR (0.40) KDRRORCADORA2APARP1ADORA3
SCHEMBL4979266 0.92 KDR (0.40) KDRMAPK14RORCADORA2APARP1
SCHEMBL4978443 0.90 KDR (0.39) KDRMEN1ALDH1A1KMT2ARORC
SCHEMBL4978086 0.89 KCNJ6 (0.38) KDRALDH1A1LMNAPARP1
SCHEMBL4978787 0.89 LMNA (0.38) KDRALDH1A1LMNAPARP1
SCHEMBL4978627 0.89 KDR (0.38) KDRRORCPARP1
SCHEMBL4980547 0.87 KDR (0.34) KDRALDH1A1LMNAPARP1
SCHEMBL4976597 0.87 KDR (0.37) KDRALDH1A1KMT2AHSD17B10LMNA

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 3/4885MAPK14 1800/4885MEN1 1400/4885

“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.