SCHEMBL14633736

SCHEMBL14633736

CN(c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1)c1n[nH]c2ncc(F)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 8/20 0.61
KDR P35968 9/20 0.52
CYP3A4 P08684 6/20 0.52
CYP2D6 P10635 6/20 0.52
CYP2C9 P11712 6/20 0.52
CYP2C19 P33261 6/20 0.52
SYK P43405 1/20 0.45
AURKA O14965 2/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
MET P08581 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
FLT3 P36888 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL14634130 0.92 KDR (0.60) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL14633693 0.90 EPHB4 (0.48) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL2436346 0.87 EPHB4 (0.46) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL2468123 0.87 EPHB4 (0.58) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL14634052 0.86 ABCB11 (0.54) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL14634129 0.83 JAK3 (0.41) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL2432312 0.82 KDR (0.54) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL14650578 0.82 EPHB4 (0.62) EPHB4KDRCYP3A4CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL14633981 0.82 EPHB4 (0.57) EPHB4KDRCYP3A4CYP2D6CYP2C9
SCHEMBL14633949 0.81 EPHB4 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 EPHB4 2462/4885KDR 541/4885CYP3A4 3598/4885

“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.