SCHEMBL14633949

SCHEMBL14633949

CN(c1ccnc(Nc2cc(N3CCC(F)(F)C3)cc(S(C)(=O)=O)c2)n1)c1n[nH]c2ncc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 9/20 0.47
PAK1 Q13153 7/20 0.47
JAK2 O60674 3/20 0.40
JAK3 P52333 1/20 0.40
KDR P35968 6/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 4/20 0.38
JAK1 P23458 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL14633693 0.82 EPHB4 (0.48) EPHB4PAK1KDRCYP3A4CYP2C9
SCHEMBL14633736 0.81 EPHB4 (0.61) EPHB4KDRCYP3A4CYP2C9PDGFRB
SCHEMBL2436346 0.80 EPHB4 (0.46) EPHB4PAK1KDRCYP3A4CYP2C9
SCHEMBL14633924 0.79 ABCB11 (0.41) EPHB4PAK1JAK2JAK3KDR
SCHEMBL14633596 0.77 PIK3CA (0.33)
SCHEMBL14634052 0.76 ABCB11 (0.54) EPHB4PAK1JAK2JAK3KDR
SCHEMBL14634185 0.76 EPHB4 (0.49) EPHB4PAK1JAK2JAK3KDR
SCHEMBL14634130 0.75 KDR (0.60) EPHB4KDRCYP3A4CYP2C9CYP2D6
SCHEMBL14633593 0.74 ABCB11 (0.39) EPHB4PAK1JAK2JAK3KDR
SCHEMBL14633998 0.73 EPHB4 (0.46) EPHB4PAK1JAK2JAK3KDR

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 2462/4885PAK1 287/4885JAK2 45/4885

“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.