SCHEMBL25656014

SCHEMBL25656014

Cc1cc2ncc(C)c(N3CCCN(C(=O)CNS(N)(=O)=O)CC3)c2cc1C

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 10/20 0.63
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.35
P2RX7 Q99572 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL25656173 0.89 ENPP1 (0.80) ENPP1KDM4EALDH1A1
SCHEMBL25656164 0.84 ENPP1 (0.78) ENPP1
SCHEMBL25656178 0.80 ENPP1 (0.68) ENPP1KDM4EALDH1A1
SCHEMBL23762340 0.78 ENPP1 (1.00) ENPP1
SCHEMBL25656012 0.78 ENPP1 (0.48) ENPP1KDM4EPOLBLMNAALDH1A1
SCHEMBL25656161 0.75 ENPP1 (0.65) ENPP1
SCHEMBL25656170 0.75 ENPP1 (0.79) ENPP1
SCHEMBL25656010 0.74 ENPP1 (0.63) ENPP1
SCHEMBL25656171 0.73 ENPP1 (0.59) ENPP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL23742849 0.72 ENPP1 (1.00) ENPP1

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 1/4885KDM4E 3611/4885POLB 533/4885

“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.