SCHEMBL13498136

SCHEMBL13498136

COc1cccc(Nc2ncc(C(=O)Nc3ccccc3)c(Nc3cccc(NC(=O)OC(C)(C)C)c3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.59
BTK Q06187 4/20 0.59
ITK Q08881 5/20 0.59
SYK P43405 5/20 0.58
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
AURKA O14965 1/20 0.51
CNR2 P34972 1/20 0.51

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
SCHEMBL21109601 0.89 EGFR (0.66) EGFRBTKITKSYKMAPT
SCHEMBL2348978 0.89 ITK (0.62) EGFRBTKITKSYKMAPT
SCHEMBL21110438 0.87 MAPT (0.49) EGFRBTKITKSYKMAPT
SCHEMBL21110443 0.87 BTK (0.69) EGFRBTKITKSYKMAPT
SCHEMBL18012007 0.86 SYK (0.63) EGFRBTKITKSYK
SCHEMBL14769135 0.85 CNR2 (0.53) EGFRBTKITKSYKMAPT
SCHEMBL13498133 0.85 EGFR (0.82) EGFRBTKITK
SCHEMBL13498134 0.85 ITK (0.62) EGFRBTKITKSYKMAPT
SCHEMBL18011892 0.85 SYK (0.66) EGFRBTKITKSYK
SCHEMBL12519750 0.85 BTK (0.77) EGFRBTKITKSYKMAPT

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-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885ITK 2697/4885

“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.