SCHEMBL25656162

SCHEMBL25656162

Cc1cc2ncnc(N3CCCN(C(=O)CN)CC3)c2cc1C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.56
AURKA O14965 1/20 0.53
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
MEN1 O00255 1/20 0.45
PDGFRB P09619 5/20 0.44
PDGFRA P16234 2/20 0.44
KRAS P01116 4/20 0.43
AKT1 P31749 2/20 0.43
MTNR1B P49286 1/20 0.42

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
SCHEMBL25656167 0.91 ENPP1 (0.57) ENPP1AURKAACHEBACE1MEN1
SCHEMBL25655998 0.85 ENPP1 (0.61) ENPP1AURKAACHEBACE1MEN1
Hydrochloric Acid SCHEMBL23726139 0.85 ENPP1 (0.73) ENPP1AURKAACHEBACE1PDGFRB
Hydrochloric Acid SCHEMBL30080206 0.85 ENPP1 (0.73) ENPP1AURKAACHEBACE1PDGFRB
SCHEMBL25656164 0.84 ENPP1 (0.78) ENPP1AURKAACHEBACE1PDGFRB
SCHEMBL25656161 0.83 ENPP1 (0.65) ENPP1AURKAACHEBACE1MEN1
SCHEMBL25656170 0.83 ENPP1 (0.79) ENPP1AURKAACHEBACE1PDGFRB
SCHEMBL25656001 0.81 ENPP1 (0.66) ENPP1AURKAACHEBACE1MEN1
SCHEMBL20782842 0.81 ENPP1 (0.74) ENPP1AURKAACHEBACE1PDGFRB
SCHEMBL30446749 0.81 ENPP1 (0.74) ENPP1AURKAACHEBACE1PDGFRB

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 1/4885AURKA 3497/4885ACHE 939/4885

“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.