SCHEMBL25656144

SCHEMBL25656144

Cc1cc2ncnc(N3CCCN(CC#N)CC3)c2cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
HTT P42858 4/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ACHE P22303 6/20 0.43
BACE1 P56817 6/20 0.43
ENPP1 P22413 2/20 0.43
AURKA O14965 5/20 0.42
JAK2 O60674 1/20 0.41
ABL1 P00519 1/20 0.41
KDR P35968 1/20 0.41
STAT3 P40763 1/20 0.41
GSK3B P49841 1/20 0.41
AURKB Q96GD4 1/20 0.41
KDM1A O60341 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL25656146 0.88 ENPP1 (0.46) POLBHTTALDH1A1NPSR1ACHE
SCHEMBL23726809 0.85 ACHE (0.61) ACHEBACE1ENPP1AURKA
SCHEMBL25656143 0.84 ENPP1 (0.48) HTTALDH1A1NPSR1ACHEBACE1
SCHEMBL25656147 0.82 ENPP1 (0.51) HTTALDH1A1NPSR1ACHEBACE1
SCHEMBL25656148 0.80 ENPP1 (0.54) HTTALDH1A1NPSR1ACHEBACE1
SCHEMBL15314918 0.79 PRKDC (0.52) HTTALDH1A1NPSR1ACHEBACE1
SCHEMBL25656113 0.79 PRKDC (0.52) HTTALDH1A1NPSR1ACHEBACE1
SCHEMBL25656145 0.77 ENPP1 (0.60) HTTALDH1A1NPSR1ACHEBACE1
SCHEMBL25656151 0.75 ENPP1 (0.69) ENPP1AURKA
SCHEMBL2079895 0.75 HRH4 (0.61) POLBHTTALDH1A1NPSR1CYP1A2

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 POLB 533/4885HTT 3775/4885ALDH1A1 2287/4885

“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.