SCHEMBL19729007

SCHEMBL19729007

Nc1ncc(-c2ccc3nccc(Nc4cncc(Cl)c4)c3c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 14/20 0.53
CD38 P28907 1/20 0.50
FADS1 O60427 1/20 0.46
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45
CA9 Q16790 1/20 0.44
ALK Q9UM73 1/20 0.44
KDR P35968 1/20 0.43

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
SCHEMBL19728998 0.87 FADS1 (0.63) MAPKAPK2CD38FADS1RAF1BRAF
SCHEMBL19729003 0.83 CD38 (0.69) MAPKAPK2CD38RAF1BRAF
SCHEMBL19729009 0.82 ALK (0.57) MAPKAPK2CD38RAF1BRAFALK
SCHEMBL29793355 0.81 EGFR (0.55) CD38RAF1BRAF
SCHEMBL17858796 0.81 EGFR (0.55) CD38RAF1BRAF
SCHEMBL19729011 0.81 MAPKAPK2 (0.47) MAPKAPK2CD38KDR
SCHEMBL19729023 0.79 FADS1 (0.58) MAPKAPK2CD38FADS1RAF1BRAF
SCHEMBL19729013 0.78 MAPKAPK2 (0.56) MAPKAPK2CD38
SCHEMBL19729012 0.76 FADS1 (0.58) MAPKAPK2CD38FADS1RAF1BRAF
SCHEMBL19729014 0.76 MAPKAPK2 (0.45) MAPKAPK2CD38FADS1RAF1BRAF

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 156/4885CD38 4006/4885FADS1 4047/4885

“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.