SCHEMBL12928906

SCHEMBL12928906

Cc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C(=O)NC4CC4)cc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.58
MAPK14 Q16539 2/20 0.44
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
TYK2 P29597 1/20 0.40
BRD4 O60885 1/20 0.39
RIPK2 O43353 1/20 0.39
MAPK11 Q15759 1/20 0.38

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
SCHEMBL1048229 0.89 ZAP70 (0.68) ZAP70MAPK14AURKAAURKBRIPK2
SCHEMBL12928885 0.88 ZAP70 (0.62) ZAP70TYK2
SCHEMBL12928894 0.86 ZAP70 (0.58) ZAP70TYK2
SCHEMBL1045824 0.86 ZAP70 (0.67) ZAP70MAPK14AURKAAURKBTYK2
SCHEMBL1049089 0.82 ZAP70 (0.60) ZAP70AURKAAURKBBRD4
SCHEMBL12928965 0.81 ZAP70 (0.55) ZAP70TYK2
SCHEMBL12929775 0.81 ZAP70 (0.66) ZAP70BRD4
SCHEMBL1049620 0.79 ZAP70 (0.59) ZAP70AURKAAURKBBRD4
SCHEMBL12928840 0.79 ZAP70 (0.82) ZAP70BRD4
SCHEMBL1044331 0.78 ZAP70 (0.77) ZAP70TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET ZAP70 4/4885MAPK14 650/4885AURKA 843/4885

“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.