SCHEMBL25656104

SCHEMBL25656104

Cc1cc2ncc(C#N)c(N3CCCCCC3)c2cc1C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.57
CHRM4 P08173 5/20 0.47
ENPP1 P22413 9/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL25656103 0.87 LRRK2 (0.48) LRRK2CHRM4ENPP1ABCB1ABCC1
SCHEMBL25656101 0.84 LRRK2 (0.53) LRRK2CHRM4ENPP1KDM4EALDH1A1
SCHEMBL25656153 0.83 ENPP1 (0.55) LRRK2CHRM4ENPP1ABCB1ABCC1
SCHEMBL25656172 0.81 ENPP1 (0.58) LRRK2CHRM4ENPP1KDM4EALDH1A1
SCHEMBL25656157 0.81 ENPP1 (0.58) LRRK2CHRM4ENPP1
SCHEMBL25656171 0.80 ENPP1 (0.59) LRRK2CHRM4ENPP1KDM4EALDH1A1
SCHEMBL25656194 0.79 ENPP1 (0.78) LRRK2CHRM4ENPP1
SCHEMBL25656176 0.79 ENPP1 (0.58) LRRK2CHRM4ENPP1KDM4EALDH1A1
SCHEMBL31646863 0.78 CHRM4 (0.64) LRRK2CHRM4ALDH1A1
SCHEMBL19889945 0.78 CHRM4 (0.61) LRRK2CHRM4ABCB1ABCC1ABCG2

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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2023-06-15 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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF ENPP1, ENPP3, PPA1 LRRK2 3715/4885CHRM4 4366/4885ENPP1 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.