SCHEMBL4978787

SCHEMBL4978787

CN(c1ccc(S(C)(=O)=O)cc1)c1nccc(N(C)c2cccc3c2nc(NC(=O)Cc2ccccc2F)n3C)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDR P35968 3/20 0.36
PARP1 P09874 1/20 0.34
ANO1 Q5XXA6 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ELOVL1 Q9BW60 1/20 0.33
GAA P10253 2/20 0.33
ROCK1 Q13464 2/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ECE1 P42892 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PRKACA P17612 1/20 0.31

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
SCHEMBL4980547 0.95 KDR (0.34) LMNAALDH1A1KDRPARP1PTGS1
SCHEMBL4976614 0.92 KDR (0.35) KDRPARP1ANO1PTGS1PTGS2
SCHEMBL4978086 0.91 KCNJ6 (0.38) LMNAALDH1A1KDRPARP1ANO1
SCHEMBL4977130 0.89 KDR (0.46) LMNAALDH1A1KDRPARP1
SCHEMBL4980913 0.89 KDR (0.40) ALDH1A1KDRPARP1PTGS1PTGS2
SCHEMBL4981241 0.86 KDR (0.35) KDRPARP1
SCHEMBL4979266 0.86 KDR (0.40) KDRPARP1
SCHEMBL4978469 0.86 KDR (0.40) LMNAKDRPARP1CA1CA2
SCHEMBL4979936 0.85 EPHB4 (0.33) KDRANO1PTGS1PTGS2
SCHEMBL4978627 0.85 KDR (0.38) KDRPARP1PTGS1PTGS2

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 LMNA 3917/4885ALDH1A1 994/4885KDR 3/4885

“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.