SCHEMBL2012842

SCHEMBL2012842

COC(=O)c1cnc(N)cc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.66
GABRD O14764 3/20 0.66
GABRA1 P14867 3/20 0.66
GABRB1 P18505 3/20 0.66
GABRG2 P18507 3/20 0.66
GABRB3 P28472 3/20 0.66
GABRA5 P31644 3/20 0.66
GABRA3 P34903 3/20 0.66
GABRA2 P47869 3/20 0.66
GABRB2 P47870 3/20 0.66
GABRA4 P48169 3/20 0.66
GABRE P78334 3/20 0.66
GABRA6 Q16445 3/20 0.66
GABRG1 Q8N1C3 3/20 0.66
GABRG3 Q99928 3/20 0.66
GABRQ Q9UN88 3/20 0.66
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
NNMT P40261 2/20 0.47

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
SCHEMBL17029063 0.86 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25242637 0.84 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31140711 0.84 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4754820 0.83 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25652163 0.81 NNMT (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3303055 0.81 KDM4E (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25149468 0.81 GAA (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2013192 0.79 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21040324 0.79 NNMT (0.70) NNMTKDM4EALDH1A1HPGDATM
SCHEMBL20951861 0.79 NNMT (0.44) GABRPGABRDGABRA1GABRB1GABRG2

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
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 WO claimed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US claimed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 WO claimed
US-20230310433-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2023-10-05 US disclosed
EP-4253367-A1 NOVEL BENZAZEPINE SPIRO DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2023-10-04 EP disclosed
WO-2023104209-A1 METTL3 INHIBITOR COMPOUND 上海昂阔医药有限公司 2023-06-15 WO disclosed
CN-114644635-B Triazole tricyclic derivative and preparation method and application thereof 上海济煜医药科技有限公司 2023-02-03 CN disclosed
US-11564923-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2023-01-31 US disclosed
WO-2022135335-A1 TRIAZOLE TRICYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海济煜医药科技有限公司 2022-06-30 WO disclosed
CN-114644635-A Triazole tricyclic derivative and preparation method and application thereof 上海济煜医药科技有限公司 2022-06-21 CN disclosed
WO-2022111581-A1 NOVEL BENZAZEPINE SPIRO DERIVATIVE 上海济煜医药科技有限公司 2022-06-02 WO disclosed
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-20170217971-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-03 US disclosed
EP-3174883-A1 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceutica, N.V. (BE) 2017-06-07 EP disclosed
WO-2016016395-A1 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-04 WO disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 WO disclosed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US disclosed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 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 (4 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-11564923-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders IL15, IL2, IL33 GABRP 3439/4885GABRD 4287/4885GABRA1 3628/4885
US-20230310433-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS IL15, IL2, IL33 GABRP 3439/4885GABRD 4287/4885GABRA1 3628/4885
US-20170217971-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 GABRP 66/4885GABRD 156/4885GABRA1 84/4885
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors GRM2, GRM5, GRM1 GABRP 78/4885GABRD 187/4885GABRA1 92/4885

“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.