SCHEMBL19729006

SCHEMBL19729006

Fc1ccc(Nc2ccnc3ccc(-c4cccc(-c5nnn[nH]5)c4)cc23)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.56
MAPKAPK2 P49137 9/20 0.47
KDR P35968 7/20 0.46
PTK6 Q13882 1/20 0.45
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
RIPK2 O43353 1/20 0.42
EGFR P00533 1/20 0.42
TGFBR1 P36897 1/20 0.42

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 0.88 FADS1 (0.55) MAPKAPK2KDRPTK6RAF1BRAF
SCHEMBL17846020 0.85 EGFR (0.57) CD38KDRRAF1BRAFEGFR
SCHEMBL29667097 0.85 EGFR (0.57) CD38KDRRAF1BRAFEGFR
SCHEMBL19729014 0.84 MAPKAPK2 (0.45) CD38MAPKAPK2KDRRAF1BRAF
SCHEMBL19729031 0.81 FADS1 (0.51) CD38MAPKAPK2KDRPTK6RAF1
SCHEMBL19729035 0.77 CD38 (0.66) CD38MAPKAPK2PTK6RAF1BRAF
SCHEMBL19729003 0.77 CD38 (0.69) CD38MAPKAPK2PTK6RAF1BRAF
SCHEMBL19729008 0.76 CD38 (0.65) CD38MAPKAPK2PTK6RAF1BRAF
SCHEMBL4740968 0.74 CD38 (0.65) CD38MAPKAPK2PTK6RIPK2EGFR
SCHEMBL4961504 0.74 CD38 (0.61) CD38MAPKAPK2PTK6RIPK2EGFR

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 CD38 4006/4885MAPKAPK2 156/4885KDR 116/4885

“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.