SCHEMBL263446

SCHEMBL263446

Nc1ccc(-c2ccccc2Cl)c(N)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
BACE1 P56817 1/20 0.51
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
DPP4 P27487 2/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
PLA2G7 Q13093 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
CYP2A6 P11509 1/20 0.40

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
SCHEMBL29496134 1.00 NPC1 (0.51) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL264853 0.85 SCN9A (0.51) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL21223370 0.82 ALDH1A1 (0.46) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL21223540 0.81 CYP1A2 (0.48) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL4501032 0.81 BACE1 (0.49) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL21223541 0.80 FGFR1 (0.53) NPC1RAB9AMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL21223806 0.79 CYP1A2 (0.46) NPC1RAB9AMEN1MAPTKMT2A
Ammonia Solution, Strong SCHEMBL7878002 0.79 BACE1 (0.50) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL14237507 0.78 HSP90AA1 (0.50) RAB9AHSP90AA1HSP90AB1SCN10ADPP4
SCHEMBL29496028 0.78 BACE1 (0.46) NPC1RAB9AMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US claimed
EP-3749305-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Université de Strasbourg (FR) 2020-12-16 EP claimed
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 CN claimed
WO-2019149965-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITE DE STRASBOURG (FR) 2019-08-08 WO claimed
US-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2022-09-22 US disclosed
EP-4010328-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-06-15 EP disclosed
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 CN disclosed
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
WO-2021023813-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2021-02-11 WO disclosed
EP-3749305-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Université de Strasbourg (FR) 2020-12-16 EP disclosed
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 CN disclosed
WO-2019149965-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITE DE STRASBOURG (FR) 2019-08-08 WO disclosed
EP-2183241-B1 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LTD (GB) 2012-12-19 EP disclosed
US-8134007-B2 Pyridine derivatives PFIZER INC. (US) 2012-03-13 US disclosed
EP-2183241-A2 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS Pfizer Limited (GB) 2010-05-12 EP disclosed
CN-101675040-A 2-pyridinecarboxamide derivatives as sodium channel modulators PFIZER LTD 2010-03-17 CN disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
WO-2008135826-A2 2 -PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LIMITED (GB) 2008-11-13 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 (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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 NPC1 2638/4885RAB9A 3565/4885MEN1 4484/4885
US-20090048306-A1 PYRIDINE DERIVATIVES SDHA, P2RX4, P2RX3 NPC1 2285/4885RAB9A 2558/4885MEN1 3487/4885
US-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS NPFFR2, NPFFR1, OPRL1 NPC1 2711/4885RAB9A 3738/4885MEN1 4796/4885

“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.