SCHEMBL1013960

SCHEMBL1013960

Cc1cccc(C(N)=O)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.63
GRM5 P41594 2/20 0.55
PIM1 P11309 1/20 0.52
PARP1 P09874 1/20 0.50
RAB9A P51151 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
TGFBR1 P36897 3/20 0.43
PDE10A Q9Y233 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NNMT P40261 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL29447048 1.00 P2RX7 (0.63) P2RX7GRM5PIM1PARP1RAB9A
Hydrochloric Acid SCHEMBL27813838 0.98 P2RX7 (0.61) P2RX7GRM5PIM1PARP1RAB9A
Hydrochloric Acid SCHEMBL30194894 0.98 P2RX7 (0.61) P2RX7GRM5PIM1PARP1RAB9A
SCHEMBL6027135 0.92 P2RX7 (0.56) P2RX7GRM5PIM1PARP1RAB9A
SCHEMBL30761141 0.86 P2RX7 (0.58) P2RX7GRM5PIM1PARP1RAB9A
Pyridine Dicarboxamide SCHEMBL229425 0.84 TSHR (0.59) P2RX7PIM1PARP1KDM4EALOX15
Pyridine Dicarboxamide SCHEMBL29587789 0.84 TSHR (0.59) P2RX7PIM1PARP1KDM4EALOX15
SCHEMBL2237588 0.82 P2RX7 (0.62) P2RX7GRM5RAB9ANOS3NOS2
SCHEMBL1958309 0.82 P2RX7 (0.62) P2RX7GRM5RAB9ANOS3NOS2
Urea SCHEMBL9618576 0.81 P2RX7 (0.55) P2RX7GRM5PARP1RAB9ANOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999699-B2 Substituted pyrazole amides Grünenthal GmbH (DE) 2024-06-04 US claimed
WO-2024039210-A1 COMPOUNDS FOR INHIBITING OR DECOMPOSING CDK2 AND/OR CDK9, AND MEDICINAL USES THEREOF 한국화학연구원 2024-02-22 WO claimed
CN-116375549-A Method and system for synthesizing amide compound from nitrile compound 深圳湾实验室 2023-07-04 CN claimed
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES GRUENENTHAL GMBH (DE) 2023-01-26 US claimed
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed
CN-105348185-A Bicyclo[3.2.1]octyl amide derivatives and uses of same LUNDBECK & CO AS H 2016-02-24 CN claimed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP claimed
CN-102105437-B Adamantyl diamide derivatives and uses of same LUNDBECK & CO AS H 2014-07-23 CN claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US claimed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US claimed
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 P2RX7 380/4885GRM5 49/4885PIM1 4767/4885
US-11999699-B2 Substituted pyrazole amides SCN8A, SCN1A, SCN7A P2RX7 74/4885GRM5 319/4885PIM1 2506/4885
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA P2RX7 840/4885GRM5 1339/4885PIM1 4501/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 P2RX7 380/4885GRM5 49/4885PIM1 4767/4885
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES SCN8A, SCN1A, SCN7A P2RX7 74/4885GRM5 319/4885PIM1 2506/4885

“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.