SCHEMBL2255519

SCHEMBL2255519

Brc1ccc(N2CCCC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.56
▸ GRIN3B O60391 1/20 0.56
▸ GRIN1 Q05586 1/20 0.56
▸ GRIN2A Q12879 1/20 0.56
▸ GRIN2B Q13224 1/20 0.56
▸ GRIN2C Q14957 1/20 0.56
▸ GRIN3A Q8TCU5 1/20 0.56
▸ AKR1C3 P42330 1/20 0.54
▸ MAPT P10636 2/20 0.51
▸ UBE2T Q9NPD8 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CNR2 P34972 9/20 0.47
▸ PANK3 Q9H999 1/20 0.45
▸ OGA O60502 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ L3MBTL1 Q9Y468 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
SCHEMBL31196073 0.98 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3573336 0.98 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30020512 0.96 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL742515 0.96 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6997406 0.94 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5238015 0.94 AKR1C3 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5236585 0.91 AKR1C3 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2324130 0.84 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14167598 0.84 AKR1C3 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL593235 0.84 CHRNB2 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336627-A1 NOVEL COMPOUNDS FOR THE DIAGNOSIS OF TDP-43 PROTEINOPATHIES AC IMMUNE SA (CH) 2024-10-10 — — US disclosed
CN-117940435-A Novel compounds for diagnosing TDP-43 proteinopathies AC免疫有限公司 2024-04-26 — — CN disclosed
US-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. 2024-02-08 — — US disclosed
US-11793821-B2 Substituted 6-membered aryl or heteroaryl allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME LLC (US) 2023-10-24 — — US disclosed
EP-4217342-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2023-08-02 — — EP disclosed
CN-116507607-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2023-07-28 — — CN disclosed
WO-2023086399-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF NURIX THERAPEUTICS, INC. (US) 2023-05-19 — — WO disclosed
WO-2023285661-A1 NOVEL COMPOUNDS FOR THE DIAGNOSIS OF TDP-43 PROTEINOPATHIES AC IMMUNE SA (CH) 2023-01-19 — — WO disclosed
WO-2022067114-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-03-31 — — WO disclosed
US-20210196734-A1 SUBSTITUTED 6-MEMBERED ARYL OR HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2021-07-01 — — US disclosed
US-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG 2009-07-02 — — US disclosed
US-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG 2009-07-02 — — US disclosed
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 — — EP disclosed
WO-2009029617-A1 DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 — — WO disclosed
EP-1994983-A1 Catalyst containing covalently bonded formate groups and Pd(0) and process for its obtention Almquest AB (SE) 2008-11-26 — — EP disclosed
WO-2008138938-A2 PROCESS FOR THE PRODUCTION OF PALLADIUM SUPPORTED CATALYSTS FOR CATALYZING HECK, SUZUKI-MIYAURA SONOGASHIRA COUPLING AND BUCHWALD-HARTWIG REACTIONS NORDIC CHEMQUEST AB (SE) 2008-11-20 — — WO disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 — — US disclosed
EP-1934223-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Novartis Pharma AG (CH) 2008-06-25 — — EP disclosed
WO-2007039285-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG (CH) 2007-04-12 — — WO disclosed
WO-2007039285-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG (CH) 2007-04-12 — — 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 (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-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 MAP4K2, MAPKAPK2, MAP3K2 GRIN2D 2144/4885GRIN3B 1930/4885GRIN1 1714/4885
US-11793821-B2 Substituted 6-membered aryl or heteroaryl allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA6, CHRNA5 GRIN2D 86/4885GRIN3B 51/4885GRIN1 71/4885
US-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 GRIN2D 825/4885GRIN3B 220/4885GRIN1 151/4885
US-20210196734-A1 SUBSTITUTED 6-MEMBERED ARYL OR HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA6, CHRNA5 GRIN2D 86/4885GRIN3B 51/4885GRIN1 71/4885
US-20240336627-A1 NOVEL COMPOUNDS FOR THE DIAGNOSIS OF TDP-43 PROTEINOPATHIES TARDBP, FUS, MAPT GRIN2D 378/4885GRIN3B 86/4885GRIN1 211/4885

“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.

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