SCHEMBL23980561

SCHEMBL23980561

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OXTR P30559 11/20 0.49
AVPR1A P37288 6/20 0.49
TYK2 P29597 1/20 0.47
AVPR2 P30518 3/20 0.43
MAP4K1 Q92918 1/20 0.38
ALOX5AP P20292 5/20 0.37
FEN1 P39748 5/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
DYRK1A Q13627 1/20 0.35

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
SCHEMBL21384181 0.82 OXTR (0.42) OXTRAVPR1ATYK2AVPR2ALOX5AP
SCHEMBL30592132 0.82 OXTR (0.42) OXTRAVPR1ATYK2AVPR2ALOX5AP
SCHEMBL23980125 0.79 OXTR (0.39) OXTRAVPR1AAVPR2ALOX5APFEN1
SCHEMBL24498490 0.76 ALOX5AP (0.43) TYK2ALOX5APFEN1KDM4E
SCHEMBL31106622 0.74 ALOX5AP (0.49) ALOX5APFEN1
SCHEMBL25538940 0.74 ALOX5AP (0.39) OXTRAVPR1AAVPR2ALOX5APFEN1
SCHEMBL30260644 0.73 KDM4E (0.36) TYK2MAP4K1KDM4ELMNA
SCHEMBL23980129 0.73 TYK2 (0.44) TYK2ALOX5APFEN1
SCHEMBL30260594 0.72 CD274 (0.35) TYK2ALOX5APFEN1KDM4E
SCHEMBL24498032 0.72 FEN1 (0.44) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479831-B2 Substituted N(-methyl-D3)pyridazine-3-carboxamide or M-(methyl-D3)-nicotinamide compounds as IL-12, IL-23 and/or IFNα modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-25 US disclosed
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
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
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
EP-4143180-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 (US) 2023-03-08 EP disclosed
CN-115715287-A Substituted N- (methyl-d 3) pyridazine-3-carboxamide or N- (methyl-d 3) -nicotinamide compounds as IL-12, IL-23 and/or IFN alpha modulators 百时美施贵宝公司 2023-02-24 CN disclosed
WO-2021222153-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 (US) 2021-11-04 WO disclosed
WO-2021222153-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 (US) 2021-11-04 WO 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 (2 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 OXTR 4464/4885AVPR1A 2982/4885TYK2 2/4885
US-12479831-B2 Substituted N(-methyl-D3)pyridazine-3-carboxamide or M-(methyl-D3)-nicotinamide compounds as IL-12, IL-23 and/or IFNα modulators TYK2, IRAK3, JAK3 OXTR 4305/4885AVPR1A 2954/4885TYK2 1/4885

“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.