SCHEMBL3055286

SCHEMBL3055286

COc1ncccc1C(C)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.46
PDCD1LG2 Q9BQ51 3/20 0.46
APLNR P35414 1/20 0.43
CYP2D6 P10635 4/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP3A4 P08684 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
BTK Q06187 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CYP1A2 P05177 1/20 0.38
NFKB1 P19838 1/20 0.38
PNMT P11086 1/20 0.38
PDCD1 Q15116 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL30320151 1.00 CD274 (0.46) CD274PDCD1LG2APLNRCYP2D6HRH1
SCHEMBL24992088 1.00 CD274 (0.46) CD274PDCD1LG2APLNRCYP2D6HRH1
Hydrochloric Acid SCHEMBL23501024 0.98 CD274 (0.45) CD274PDCD1LG2APLNRCYP2D6HRH1
Hydrochloric Acid SCHEMBL23501025 0.98 CD274 (0.45) CD274PDCD1LG2APLNRCYP2D6HRH1
SCHEMBL9968894 0.86 APLNR (0.44) APLNRCYP2D6HRH1KCNH2CYP3A4
SCHEMBL30083020 0.86 APLNR (0.44) APLNRCYP2D6HRH1KCNH2CYP3A4
SCHEMBL23363181 0.82 CYP2D6 (0.45) APLNRCYP2D6HRH1KCNH2CYP3A4
SCHEMBL21606226 0.82 APLNR (0.42) APLNRCYP2D6HRH1KCNH2CYP3A4
SCHEMBL1515447 0.82 APLNR (0.42) APLNRCYP2D6HRH1KCNH2CYP3A4
SCHEMBL23363180 0.82 CYP2D6 (0.45) APLNRCYP2D6HRH1KCNH2CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820860-B1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INST INC (US) 2025-10-15 EP disclosed
US-11993581-B2 Pyridazine compounds for inhibiting Nav1.8 LIEBER INSTITUE, INC (US) 2024-05-28 US disclosed
CN-112689629-B For inhibiting Nav1.8 Pyridazine Compounds 利伯研究所公司 2024-04-23 CN disclosed
WO-2021115401-A1 FLUORINE-CONTAINING HETEROCYCLIC DERIVATIVES WITH MACROCYCLIC STRUCTURE AND USE THEREOF 成都倍特药业股份有限公司 2021-06-17 WO disclosed
EP-3820860-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 Lieber Institute, Inc. (US) 2021-05-19 EP disclosed
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 US disclosed
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 US disclosed
CN-112689629-A For inhibiting Nav1.8 pyridazine Compounds 利伯研究所公司 2021-04-20 CN disclosed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 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 (3 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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A CD274 4426/4885PDCD1LG2 3185/4885APLNR 707/4885
US-11993581-B2 Pyridazine compounds for inhibiting Nav1.8 SCN8A, SCN5A, SCN2A CD274 4426/4885PDCD1LG2 3185/4885APLNR 707/4885
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 CD274 3104/4885PDCD1LG2 4161/4885APLNR 2306/4885

“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.