Sugi Predict

Sugi Predict / Compounds / SCHEMBL4976597

SCHEMBL4976597

SCHEMBL4976597

CN(c1ccc(S(C)(=O)=O)cc1)c1nccc(N(C)c2cccc3c2nc(NC(=O)Cc2ccc4c(c2)OCO4)n3C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.37
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ PKM P14618 2/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ RECQL P46063 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
SCHEMBL4978443 0.87 KDR (0.39) KDRALDH1A1LMNAHTTKMT2A
SCHEMBL4977130 0.87 KDR (0.46) KDRADORA3ADORA2AALDH1A1LMNA
SCHEMBL4980390 0.87 KDR (0.40) KDRADORA3ADORA2AADORA2BADORA1
SCHEMBL4979266 0.86 KDR (0.40) KDRADORA2ACYP3A4
SCHEMBL4978469 0.86 KDR (0.40) KDRADORA2ALMNAKMT2A
SCHEMBL4980913 0.86 KDR (0.40) KDRADORA2AALDH1A1
SCHEMBL4978627 0.84 KDR (0.38) KDR
SCHEMBL4978086 0.83 KCNJ6 (0.38) KDRALDH1A1LMNA
SCHEMBL4978787 0.83 LMNA (0.38) KDRALDH1A1LMNAROCK1MAPT
SCHEMBL4976614 0.82 KDR (0.35) KDRTRPV1

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 8 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
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 — — EP claimed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 — — WO 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 3/4885ADORA3 1474/4885ADORA2A 1464/4885

“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.