SCHEMBL4979229

SCHEMBL4979229

CN(c1ccc(S(C)(=O)=O)cc1)c1nccc(N(C)c2cccc3c2nc(NC(=O)C(C)(C)c2ccccc2)n3C)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
KDR P35968 13/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
EPHB4 P54760 1/20 0.32
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
ELOVL1 Q9BW60 1/20 0.30

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 0.86 KDR (0.46) PARP1KDR
SCHEMBL4976934 0.85 PARP1 (0.37) PARP1KDRPTGS1PTGS2EPHB4
SCHEMBL4978086 0.82 KCNJ6 (0.38) PARP1KDR
SCHEMBL4978787 0.82 LMNA (0.38) PARP1KDRPTGS1PTGS2ELOVL1
SCHEMBL4978627 0.81 KDR (0.38) PARP1KDRPTGS1PTGS2CYP2D6
SCHEMBL4980472 0.81 KMT2A (0.40) PARP1
SCHEMBL4981842 0.81 EPHB4 (0.35) KDREPHB4CYP3A4CYP2D6CYP2C9
SCHEMBL4978469 0.81 KDR (0.40) PARP1KDR
SCHEMBL4980913 0.81 KDR (0.40) PARP1KDRPTGS1PTGS2
SCHEMBL4979266 0.81 KDR (0.40) PARP1KDRCYP3A4CYP2D6CYP2C9

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 PARP1 229/4885KDR 3/4885PTGS1 1609/4885

“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.