SCHEMBL3920052

SCHEMBL3920052

C#Cc1ncccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
TOP1 P11387 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HTT P42858 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
GRM5 P41594 1/20 0.36
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MAPK1 P28482 1/20 0.35
TGFBR1 P36897 1/20 0.35
CTSL P07711 1/20 0.34
PTPRC P08575 1/20 0.34
CTSS P25774 1/20 0.34
PTPN13 Q12923 1/20 0.34

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
SCHEMBL6509937 0.80 CLK4 (0.41) ALDH1A1HSD17B10GRM5MAPK1MAP4K4
SCHEMBL1008743 0.80 ALOX15 (0.44) TOP1ALDH1A1HSD17B10HTTPTGS1
SCHEMBL7024820 0.80 ALDH1A1 (0.42) CYP2A6TOP1ALDH1A1HSD17B10HTT
SCHEMBL29429073 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10GRM5HPGDCTSL
SCHEMBL28035850 0.74 SMARCA2 (0.36) CYP2A6ALDH1A1MAPK1MAP4K4CHEK1
SCHEMBL12811658 0.74 GRM5 (0.41) GRM5CTSLPTPRCCTSSPTPN13
SCHEMBL27933452 0.74 KDM4E (0.45) ALDH1A1HSD17B10HTTHPGDMAPK1
SCHEMBL27937121 0.74 CYP2A6 (0.46) CYP2A6ALDH1A1HSD17B10HTTPTGS2
SCHEMBL8915138 0.73 ALOX15 (0.37) PTGS1PTGS2CHEK1GSK3B
SCHEMBL15570377 0.72 ALDH1A1 (0.46) CYP2A6TOP1ALDH1A1HSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122212-A3 SUBSTITUTED PHENYL ETHYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE (US) 2023-08-03 WO disclosed
WO-2023122212-A2 SUBSTITUTED PHENYL ETHYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed
WO-2023122212-A2 SUBSTITUTED PHENYL ETHYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed
EP-2028180-A1 Novel aminopyridine derivatives as mGluR5 antagonists ADDEX Pharma S.A. (CH) 2009-02-25 EP disclosed
EP-1603877-B1 NOVEL AMINOPYRIDINE DERIVATIVES AS mGIuR5 ANTAGONISTS ADDEX PHARMA SA (CH) 2008-11-26 EP disclosed
US-20080004316-A1 Novel aminopyridine derivatives as mGluR5 antagonists ADDEX PHARMACEUTICALS SA (CH) 2008-01-03 US disclosed
US-7205411-B2 Aminopyridine derivatives as mGluR5 antagonists ADDEX PHARMACEUTICALS SA (CH) 2007-04-17 US disclosed
US-20060030601-A1 Novel aminopyridine derivatives as mGluR5 antagonists ADDEX PHARMACEUTICALS SA (CH) 2006-02-09 US disclosed
EP-1603877-A1 NOVEL AMINOPYRIDINE DERIVATIVES AS mGIuR5 ANTAGONISTS Addex Pharmaceuticals SA (CH) 2005-12-14 EP disclosed
WO-2004078728-A1 NOVEL AMINOPYRIDINE DERIVATIVES AS mGIuR5 ANTAGONISTS ADDEX PHARMACEUTICALS SA (CH) 2004-09-16 WO disclosed
US-5639753-A CONTROLLING INSECTS IN AGRICULTURE CROPS FMC CORPORATION (US) 1997-06-17 US disclosed
US-5532367-A LARVICIDES FMC CORPORATION (US) 1996-07-02 US disclosed
US-5521190-A USEFUL AGAINST TOBACCO BUDWORM FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1994027439-A1 INSECTICIDAL PTERIDINES AND 8-DEAZAPTERIDINES FMC CORPORATION (US) 1994-12-08 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-20080004316-A1 Novel aminopyridine derivatives as mGluR5 antagonists GRM5, GRM6, GRM2 CYP2A6 1716/4885TOP1 4720/4885ALDH1A1 3199/4885
US-20060030601-A1 Novel aminopyridine derivatives as mGluR5 antagonists GRM5, GRM6, GRM2 CYP2A6 1716/4885TOP1 4720/4885ALDH1A1 3199/4885

“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.