SCHEMBL4979936

SCHEMBL4979936

CN(c1cccc(S(C)(=O)=O)c1)c1nccc(N(C)c2cccc3c2nc(NC(=O)Cc2cc(F)ccc2F)n3C)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 1/20 0.33
ANO1 Q5XXA6 3/20 0.33
KDR P35968 4/20 0.32
TRPA1 O75762 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
VNN1 O95497 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
NTRK1 P04629 1/20 0.30
CCR1 P32246 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
RIPK1 Q13546 1/20 0.30
MLKL Q8NB16 1/20 0.30
RIPK3 Q9Y572 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
SCHEMBL4976614 0.94 KDR (0.35) ANO1KDRTRPA1TRPV4BCHE
SCHEMBL4978203 0.92 KDR (0.38) EPHB4ANO1KDRTRPA1TRPV4
SCHEMBL4975127 0.87 EPHB4 (0.37) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL4978787 0.85 LMNA (0.38) ANO1KDRPTGS1PTGS2
SCHEMBL4978714 0.85 EPHB4 (0.38) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL4976580 0.84 MEN1 (0.38) EPHB4ANO1KDR
SCHEMBL4980547 0.83 KDR (0.34) KDRTRPA1PTGS1PTGS2TRPV1
SCHEMBL4980913 0.83 KDR (0.40) KDRPTGS1PTGS2CCR1
SCHEMBL4980171 0.83 EPHB4 (0.33) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL4977994 0.83 EPHB4 (0.34) EPHB4KDRCYP3A4CYP2D6CYP2C9

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 EPHB4 535/4885ANO1 3232/4885KDR 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.