SCHEMBL25656208

SCHEMBL25656208

Cc1cc2ncc(C#N)c(-c3ccc(CNC(=O)OC(C)(C)C)nc3)c2cc1C

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.63
NSD2 O96028 1/20 0.43
PDPK1 O15530 1/20 0.38
AAK1 Q2M2I8 5/20 0.38
PRMT5 O14744 5/20 0.37
WDR77 Q9BQA1 5/20 0.37
GRM2 Q14416 1/20 0.36
RET P07949 4/20 0.35
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL23762334 0.89 ENPP1 (0.79) ENPP1
SCHEMBL30117269 0.89 ENPP1 (0.79) ENPP1
SCHEMBL25656207 0.88 ENPP1 (0.82) ENPP1NSD2AAK1RETLRRK2
SCHEMBL23726976 0.78 ENPP1 (0.66) ENPP1
SCHEMBL30117274 0.78 ENPP1 (1.00) ENPP1
SCHEMBL23762333 0.78 ENPP1 (1.00) ENPP1
SCHEMBL25656004 0.78 ENPP1 (0.54) ENPP1LRRK2
SCHEMBL31380369 0.77 ENPP1 (0.47) ENPP1NSD2AAK1PRMT5WDR77
SCHEMBL31540428 0.77 ENPP1 (0.47) ENPP1NSD2AAK1PRMT5WDR77
SCHEMBL31380406 0.77 ENPP1 (0.47) ENPP1NSD2AAK1PRMT5WDR77

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 1/4885NSD2 4117/4885PDPK1 332/4885

“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.