SCHEMBL14633593

SCHEMBL14633593

CN(c1ccnc(Nc2cc3c(c(S(C)(=O)=O)c2)CCO3)n1)c1n[nH]c2ncc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.39
EPHB4 P54760 14/20 0.38
PAK1 Q13153 2/20 0.37
KDR P35968 10/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
PDGFRB P09619 2/20 0.35
FGFR1 P11362 7/20 0.34
BMPR1B O00238 1/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
GAK O14976 1/20 0.34
EPHB6 O15197 1/20 0.34
ABCC4 O15439 1/20 0.34
RIPK2 O43353 1/20 0.34
CA12 O43570 1/20 0.34
PIP5K1C O60331 1/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL14634052 0.84 ABCB11 (0.54) ABCB11EPHB4PAK1KDRCYP3A4
SCHEMBL14633693 0.81 EPHB4 (0.48) ABCB11EPHB4PAK1KDRCYP3A4
SCHEMBL14633924 0.80 ABCB11 (0.41) ABCB11EPHB4PAK1KDRCYP3A4
SCHEMBL2432312 0.79 KDR (0.54) ABCB11EPHB4KDRCYP3A4CYP2C9
SCHEMBL14633736 0.79 EPHB4 (0.61) EPHB4KDRCYP3A4CYP2C9CYP2D6
SCHEMBL2436346 0.79 EPHB4 (0.46) ABCB11EPHB4PAK1KDRCYP3A4
SCHEMBL14633921 0.78 SYK (0.35) METFLT3SYK
SCHEMBL2435839 0.77 KDR (0.46) ABCB11EPHB4KDRCYP3A4CYP2C9
SCHEMBL2464853 0.75 EED (0.30)
SCHEMBL14634207 0.75 RIPK2 (0.46) EPHB4KDRGAKRIPK2LCK

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 ABCB11 3476/4885EPHB4 2462/4885PAK1 287/4885

“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.