SCHEMBL25656209

SCHEMBL25656209

Cc1cc2ncnc(-c3ccc(NCCNS(N)(=O)=O)nc3)c2cc1C

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 10/20 0.76
KIT P10721 5/20 0.40
TDO2 P48775 4/20 0.40
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 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
SCHEMBL23762391 0.87 ENPP1 (1.00) ENPP1KIT
Hydrochloric Acid SCHEMBL23726792 0.86 ENPP1 (0.98) ENPP1KIT
Hydrochloric Acid SCHEMBL30117275 0.86 ENPP1 (0.98) ENPP1KIT
SCHEMBL25656211 0.84 ENPP1 (0.54) ENPP1KITCYP1A2CYP2D6CLK4
SCHEMBL25656205 0.81 ENPP1 (0.75) ENPP1KIT
SCHEMBL25656210 0.80 ENPP1 (0.54) ENPP1KITTDO2USP2ALDH1A1
SCHEMBL23726281 0.75 ENPP1 (0.75) ENPP1KIT
SCHEMBL23727079 0.74 ENPP1 (0.77) ENPP1KIT
SCHEMBL25655992 0.72 ENPP1 (0.51) ENPP1KIT
SCHEMBL23762250 0.71 ENPP1 (0.81) ENPP1KIT

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 ENPP1 1/4885KIT 4739/4885TDO2 3184/4885

“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.