SCHEMBL19729014

SCHEMBL19729014

Clc1cncc(Nc2ccnc3ccc(-c4cccc(-c5nnn[nH]5)c4)cc23)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.45
KDR P35968 3/20 0.45
RAF1 P04049 8/20 0.45
BRAF P15056 8/20 0.45
FADS1 O60427 1/20 0.42
CD38 P28907 1/20 0.41

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
SCHEMBL19729000 0.89 FADS1 (0.55) MAPKAPK2KDRRAF1BRAFFADS1
SCHEMBL19729031 0.88 FADS1 (0.51) MAPKAPK2KDRRAF1BRAFFADS1
SCHEMBL17846073 0.85 MAP4K4 (0.53) KDRRAF1BRAFCD38
SCHEMBL19729006 0.84 CD38 (0.56) MAPKAPK2KDRRAF1BRAFCD38
SCHEMBL19729009 0.77 ALK (0.57) MAPKAPK2RAF1BRAFCD38
SCHEMBL19729007 0.76 MAPKAPK2 (0.53) MAPKAPK2KDRRAF1BRAFFADS1
SCHEMBL17845965 0.73 EGFR (0.61) KDRRAF1BRAFFADS1CD38
SCHEMBL19729011 0.73 MAPKAPK2 (0.47) MAPKAPK2KDRCD38
SCHEMBL29793326 0.73 EGFR (0.61) KDRRAF1BRAFFADS1CD38
SCHEMBL24009995 0.73 MAPKAPK2 (0.39) MAPKAPK2RAF1BRAF

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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 MAPKAPK2 156/4885KDR 116/4885RAF1 73/4885

“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.