SCHEMBL19001586

SCHEMBL19001586

Cc1cccc(Nc2ncnc3cc(NC(=O)CCl)ccc23)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.70
ERBB2 P04626 6/20 0.66
GMPS P49915 2/20 0.64
HTT P42858 1/20 0.57
HIF1A Q16665 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.53

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
SCHEMBL4354580 0.91 EGFR (0.78) EGFRERBB2GMPS
SCHEMBL18349206 0.89 EGFR (0.57) EGFRERBB2GMPS
SCHEMBL18996626 0.88 EGFR (0.64) EGFRERBB2GMPSABCG2
SCHEMBL2100939 0.87 EGFR (0.68) EGFRERBB2GMPSHTTHIF1A
SCHEMBL14286278 0.87 EGFR (0.84) EGFRERBB2GMPS
SCHEMBL30865110 0.86 GMPS (0.85) EGFRGMPSHTTABCG2
SCHEMBL7802360 0.85 EGFR (0.61) EGFRERBB2GMPSHTTHIF1A
Hydrochloric Acid SCHEMBL7807344 0.84 EGFR (0.60) EGFRERBB2GMPSHTTHIF1A
SCHEMBL7809310 0.83 EGFR (0.59) EGFRERBB2GMPSHTTHIF1A
SCHEMBL2994207 0.83 EGFR (1.00) EGFRERBB2

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-20170174638-A1 COMPOUNDS AND METHODS FOR INHIBITING VACUOLAR ATPASE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-06-22 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-20170174638-A1 COMPOUNDS AND METHODS FOR INHIBITING VACUOLAR ATPASE NSF, ATP6V1H, ATP6V1G1 EGFR 4294/4885ERBB2 3702/4885GMPS 1806/4885

“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.