SCHEMBL20003778

SCHEMBL20003778

Cc1ccc2cnc(CC(C)c3ccc4ncncc4c3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.37
IMPDH2 P12268 1/20 0.34
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
FGFR4 P22455 1/20 0.32
AR P10275 1/20 0.31
CYP1A2 P05177 1/20 0.31
NR3C1 P04150 1/20 0.31

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
SCHEMBL19308814 0.89 EGFR (0.38) EGFRPIK3CAPIK3CDFGFR4AR
SCHEMBL2619213 0.75 EGFR (0.50) EGFRPIK3CAPIK3CDFGFR4AR
SCHEMBL1771615 0.72 EGFR (0.60) EGFRIMPDH2CYP1A2
SCHEMBL29985188 0.72 EGFR (0.60) EGFRIMPDH2PIK3CAPIK3CDFGFR4
SCHEMBL1771905 0.72 EGFR (0.60) EGFRIMPDH2PIK3CAPIK3CDFGFR4
SCHEMBL19308857 0.71 EGFR (0.38) EGFRIMPDH2PIK3CAPIK3CD
SCHEMBL2611054 0.70 EGFR (0.55) EGFRPIK3CAPIK3CDFGFR4AR
SCHEMBL28801910 0.70 EGFR (0.58) EGFRIMPDH2PIK3CAPIK3CDFGFR4
SCHEMBL23335615 0.68 EGFR (0.51) EGFRIMPDH2PIK3CAPIK3CDFGFR4
SCHEMBL27666530 0.68 EGFR (0.51) EGFRPIK3CAPIK3CDFGFR4AR

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-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2018-03-29 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-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS EGFR 4021/4885IMPDH2 400/4885PIK3CA 183/4885

“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.