SCHEMBL10271997

SCHEMBL10271997

Cc1nc2ccc(Cl)cn2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.51
PDE10A Q9Y233 1/20 0.41
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 4/20 0.38
TP53 P04637 2/20 0.38
DYRK1A Q13627 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
DRD3 P35462 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
SCHEMBL16808007 0.79 DYRK1A (0.35) AHRPDE10ANPC1RAB9AKDM4E
SCHEMBL7921087 0.79 AHR (0.46) AHRPDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL12779142 0.76 DYRK1A (0.38) AHRDYRK1APIK3CD
SCHEMBL5930721 0.76 DYRK1A (0.38) AHRDYRK1AAPPPIK3CD
SCHEMBL618586 0.76 AHR (0.60) AHRNPC1RAB9ADYRK1AGAA
SCHEMBL22438963 0.76 DYRK1A (0.38) AHRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15415685 0.76 AHR (0.51) AHRPDE10ANPC1RAB9AKDM4E
SCHEMBL10220047 0.76 AHR (0.47) AHRPDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL13401023 0.76 AHR (0.47) AHRPDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL30601172 0.75 AHR (0.72) AHRNPC1RAB9ASMN1; SMN2TP53

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870638-B2 Pyridazinone compound or its salt, and herbicide containing it ISHIHARA SANGYO KAISHA, LTD. (JP) 2020-12-22 US disclosed
US-20200172517-A1 PYRIDAZINONE COMPOUND OR ITS SALT, AND HERBICIDE CONTAINING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2020-06-04 US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
WO-2007034252-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS SANOFI-AVENTIS (FR) 2007-03-29 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 (11 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 AHR 3063/4885PDE10A 1526/4885NPC1 896/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 AHR 3063/4885PDE10A 1526/4885NPC1 896/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 AHR 3063/4885PDE10A 1526/4885NPC1 896/4885
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH AHR 2112/4885PDE10A 1781/4885NPC1 2305/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 AHR 3063/4885PDE10A 1526/4885NPC1 896/4885
US-10870638-B2 Pyridazinone compound or its salt, and herbicide containing it H1-0, H1-4, H1-3 AHR 141/4885PDE10A 2993/4885NPC1 4794/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 AHR 3063/4885PDE10A 1526/4885NPC1 896/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 AHR 3063/4885PDE10A 1526/4885NPC1 896/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 AHR 3063/4885PDE10A 1526/4885NPC1 896/4885
US-20200172517-A1 PYRIDAZINONE COMPOUND OR ITS SALT, AND HERBICIDE CONTAINING IT H1-0, H1-4, H1-3 AHR 141/4885PDE10A 2993/4885NPC1 4794/4885
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 AHR 465/4885PDE10A 2381/4885NPC1 468/4885

“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.