SCHEMBL25538940

SCHEMBL25538940

COc1c(N)cccc1-c1cnc(N(C)C(C)O)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 13/20 0.39
FEN1 P39748 13/20 0.39
OXTR P30559 3/20 0.33
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
FYN P06241 2/20 0.32

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
SCHEMBL23980125 0.81 OXTR (0.39) ALOX5APFEN1OXTRAVPR2AVPR1A
SCHEMBL30260513 0.79 ALOX5AP (0.40) ALOX5APFEN1PDCD1CD274
SCHEMBL29686208 0.77 FEN1 (0.44) ALOX5APFEN1PDCD1CD274
SCHEMBL24498032 0.77 FEN1 (0.44) ALOX5APFEN1PDCD1CD274
SCHEMBL24498490 0.74 ALOX5AP (0.43) ALOX5APFEN1FYN
SCHEMBL23980561 0.74 OXTR (0.49) ALOX5APFEN1OXTRAVPR2AVPR1A
SCHEMBL31106622 0.73 ALOX5AP (0.49) ALOX5APFEN1FYN
SCHEMBL23980129 0.72 TYK2 (0.44) ALOX5APFEN1PDCD1CD274FYN
SCHEMBL30260594 0.69 CD274 (0.35) ALOX5APFEN1PDCD1CD274FYN
SCHEMBL24498473 0.69 TYK2 (0.41) ALOX5APFEN1

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-20230167092-A1 SUBSTITUTED N-(METHYL-D3)PYRIDAZINE-3-CARBOXAMIDE OR N-(METHYL-D3)-NICOTINAMIDE COMPOUNDS AS IL-12, IL-23 AND/OR IFNALPHA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2023-06-01 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-20230167092-A1 SUBSTITUTED N-(METHYL-D3)PYRIDAZINE-3-CARBOXAMIDE OR N-(METHYL-D3)-NICOTINAMIDE COMPOUNDS AS IL-12, IL-23 AND/OR IFNALPHA MODULATORS JAK3, TYK2, IRAK3 ALOX5AP 3774/4885FEN1 3472/4885OXTR 4464/4885

“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.