SCHEMBL25537829

SCHEMBL25537829

CCOc1cccc(C(=O)Nc2ncc(Cl)nc2Nc2c(C)cccc2OC)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.39
LCK P06239 2/20 0.39
ATM Q13315 1/20 0.38
CTSA P10619 1/20 0.38
GRM5 P41594 2/20 0.38
FGFR4 P22455 1/20 0.38
MAPK8 P45983 1/20 0.37
SRC P12931 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRNA7 P36544 2/20 0.36
CBLB Q13191 1/20 0.35

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
SCHEMBL29596279 0.94 APLNR (0.42) APLNRGRM5MAPK8MEN1KMT2A
SCHEMBL21826883 0.94 APLNR (0.42) APLNRGRM5MAPK8MEN1KMT2A
SCHEMBL21827569 0.91 APLNR (0.42) APLNRGRM5MAPK8MEN1KMT2A
SCHEMBL31471124 0.91 APLNR (0.42) APLNRGRM5MAPK8MEN1KMT2A
SCHEMBL21826857 0.88 CCR4 (0.39) APLNRATMGRM5FGFR4MAPK8
SCHEMBL21827065 0.84 APLNR (0.43) APLNRCTSAGRM5MAPK8MEN1
SCHEMBL31471101 0.84 APLNR (0.43) APLNRCTSAGRM5MAPK8MEN1
SCHEMBL31471113 0.82 APLNR (0.40) APLNRMEN1KMT2A
SCHEMBL21827107 0.82 APLNR (0.40) APLNRMEN1KMT2A
SCHEMBL31471102 0.81 APLNR (0.42) APLNRGRM5MAPK8MEN1KMT2A

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-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 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-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 APLNR 1/4885LCK 4019/4885ATM 3228/4885

“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.