SCHEMBL25656175

SCHEMBL25656175

Cc1cc2ncc(C#N)c(N3CCCN(C(=O)CCNC(=O)OC(C)(C)C)CC3)c2cc1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 10/20 0.53
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
LRRK2 Q5S007 2/20 0.39
PDGFRB P09619 2/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL30117281 0.91 ENPP1 (0.65) ENPP1PDGFRB
SCHEMBL23762331 0.91 ENPP1 (0.65) ENPP1PDGFRB
SCHEMBL25656174 0.85 ENPP1 (0.62) ENPP1KDM4EALDH1A1LRRK2PDGFRB
SCHEMBL25656018 0.83 ENPP1 (0.59) ENPP1KDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL25656176 0.83 ENPP1 (0.58) ENPP1KDM4EALDH1A1KMT2ALRRK2
SCHEMBL25656178 0.83 ENPP1 (0.68) ENPP1KDM4EALDH1A1LRRK2
SCHEMBL30117247 0.82 ENPP1 (0.72) ENPP1PDGFRB
SCHEMBL23762324 0.82 ENPP1 (0.72) ENPP1PDGFRB
SCHEMBL25656172 0.82 ENPP1 (0.58) ENPP1KDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL25656166 0.81 ENPP1 (0.56) ENPP1SIGMAR1PDGFRB

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 1/4885SIGMAR1 4715/4885KDM4E 3611/4885

“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.