SCHEMBL2435394

SCHEMBL2435394

Cc1cc(Nc2nccc(N(C)c3n[nH]c4cc(F)c(F)cc34)n2)cc(S(N)(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.49
CYP3A4 P08684 8/20 0.49
CYP2D6 P10635 8/20 0.49
CYP2C9 P11712 8/20 0.49
CYP2C19 P33261 8/20 0.49
EPHB4 P54760 2/20 0.42
CDK4 P11802 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
RIPK1 Q13546 3/20 0.40
RIPK3 Q9Y572 3/20 0.40
MLKL Q8NB16 2/20 0.40
AURKA O14965 2/20 0.40
KIT P10721 2/20 0.40
PDGFRA P16234 2/20 0.40
BMPR1B O00238 1/20 0.39
PLK4 O00444 1/20 0.39
GAK O14976 1/20 0.39
EPHB6 O15197 1/20 0.39
ABCC4 O15439 1/20 0.39

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
SCHEMBL2435385 0.96 KDR (0.49) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2515028 0.93 EPHB4 (0.49) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2436212 0.89 KDR (0.46) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14633630 0.89 EPHB4 (0.48) KDRCYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL14634065 0.88 EPHB4 (0.47) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14633977 0.87 KDR (0.49) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14634049 0.86 KDR (0.52) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14633505 0.86 KDR (0.50) KDRCYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL14633830 0.86 KDR (0.48) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2439785 0.86 KDR (0.46) KDRCYP3A4CYP2D6CYP2C9CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 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 (2 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 KDR 541/4885CYP3A4 3598/4885CYP2D6 2825/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 KDR 546/4885CYP3A4 2429/4885CYP2D6 2466/4885

“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.