SCHEMBL19729031

SCHEMBL19729031

Clc1cccc(Nc2ccnc3ccc(-c4cncc(-c5nnn[nH]5)c4)cc23)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.51
MAPKAPK2 P49137 8/20 0.45
KDR P35968 2/20 0.44
CA9 Q16790 1/20 0.44
CD38 P28907 2/20 0.43
RAF1 P04049 5/20 0.41
BRAF P15056 5/20 0.41
ERBB2 P04626 1/20 0.40
PTK6 Q13882 1/20 0.40

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 0.92 FADS1 (0.55) FADS1MAPKAPK2KDRCA9RAF1
SCHEMBL19729014 0.88 MAPKAPK2 (0.45) FADS1MAPKAPK2KDRCD38RAF1
SCHEMBL17845957 0.85 CD38 (0.58) FADS1CD38RAF1BRAFERBB2
SCHEMBL29793359 0.85 CD38 (0.58) FADS1CD38RAF1BRAFERBB2
SCHEMBL19729006 0.81 CD38 (0.56) MAPKAPK2KDRCD38RAF1BRAF
SCHEMBL19729023 0.81 FADS1 (0.58) FADS1MAPKAPK2KDRCA9CD38
SCHEMBL19729026 0.80 FADS1 (0.49) FADS1MAPKAPK2KDRCA9CD38
SCHEMBL19729028 0.79 MAPKAPK2 (0.61) FADS1MAPKAPK2KDRCA9CD38
SCHEMBL19729033 0.78 MAPKAPK2 (0.61) FADS1MAPKAPK2CA9CD38RAF1
SCHEMBL19729010 0.77 FADS1 (0.56) FADS1MAPKAPK2KDRCA9RAF1

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 FADS1 4047/4885MAPKAPK2 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.