SCHEMBL29339757

SCHEMBL29339757

CC(c1ccccc1)N(C)c1c(C#N)cnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.44
PGR P06401 1/20 0.44
EGFR P00533 7/20 0.38
PRKDC P78527 4/20 0.38
LRRK2 Q5S007 2/20 0.35
PIK3CA P42336 2/20 0.35
ESR2 Q92731 1/20 0.35
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
STK4 Q13043 1/20 0.33
MAP3K8 P41279 2/20 0.33

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
SCHEMBL29775060 0.80 EGFR (0.60) AREGFRPRKDCLRRK2PIK3CA
SCHEMBL29775065 0.80 EGFR (0.60) AREGFRPRKDCLRRK2PIK3CA
SCHEMBL24576517 0.80 EGFR (0.60) AREGFRPRKDCLRRK2PIK3CA
SCHEMBL25606443 0.79 EGFR (0.46) EGFRLPLLIPGIDO1TDO2
SCHEMBL18171863 0.76 LPL (0.37) ARPGREGFRESR2LPL
SCHEMBL20445884 0.74 RPS6KB1 (0.49) ARPGREGFRESR2LPL
SCHEMBL20445886 0.74 RPS6KB1 (0.49) ARPGREGFRESR2LPL
SCHEMBL24576518 0.74 EGFR (0.49) AREGFRPRKDCLRRK2PIK3CA
SCHEMBL24576528 0.72 EGFR (0.47) AREGFRPRKDCLRRK2PIK3CA
SCHEMBL29133792 0.72 PDPK1 (0.42) EGFRPRKDCLRRK2MAP3K8

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-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 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-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 AR 209/4885PGR 570/4885EGFR 1/4885

“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.