SCHEMBL4978203

SCHEMBL4978203

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.38
RIPK1 Q13546 2/20 0.38
MLKL Q8NB16 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
TRPA1 O75762 5/20 0.34
TRPV4 Q9HBA0 4/20 0.34
EPHB4 P54760 1/20 0.32
TRPV3 Q8NET8 1/20 0.31
KCNH2 Q12809 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
RXRA P19793 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
CSF1R P07333 3/20 0.31
ANO1 Q5XXA6 2/20 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
SCHEMBL4979936 0.92 EPHB4 (0.33) KDRRIPK1MLKLRIPK3TRPA1
SCHEMBL4976614 0.86 KDR (0.35) KDRRIPK1MLKLRIPK3TRPA1
SCHEMBL4975127 0.84 EPHB4 (0.37) KDREPHB4
SCHEMBL4978787 0.83 LMNA (0.38) KDRANO1
SCHEMBL4978714 0.83 EPHB4 (0.38) KDREPHB4
SCHEMBL4978627 0.83 KDR (0.38) KDRRIPK1MLKLRIPK3
SCHEMBL4976580 0.81 MEN1 (0.38) KDREPHB4ANO1
SCHEMBL4980547 0.81 KDR (0.34) KDRTRPA1
SCHEMBL4980171 0.81 EPHB4 (0.33) KDREPHB4
SCHEMBL4977994 0.80 EPHB4 (0.34) KDRRIPK1MLKLRIPK3EPHB4

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 7 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
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP 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 3/4885RIPK1 2052/4885MLKL 1502/4885

“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.