SCHEMBL803797

SCHEMBL803797

CC(C)(C)c1nccc(Br)n1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NUDT1 P36639 2/20 0.32

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
SCHEMBL3487859 0.77 MALT1 (0.46)
SCHEMBL790845 0.74 UHRF1 (0.36) ADORA2AADORA1
SCHEMBL279200 0.74 SYK (0.39) ADORA2AADORA1
SCHEMBL31692003 0.74 NUDT1 (0.42) ADORA2AADORA1NUDT1
SCHEMBL2625477 0.74 NUDT1 (0.42) ADORA2AADORA1NUDT1
SCHEMBL1912979 0.74 CHRNA7 (0.33) ADORA2AADORA1
SCHEMBL1828405 0.73 NOS3 (0.37) ADORA2AADORA1NUDT1
SCHEMBL393333 0.73 ADORA2A (0.34) ADORA2AADORA1
SCHEMBL11113890 0.73 ADORA2A (0.34) ADORA2AADORA1
SCHEMBL18501682 0.72 NUDT1 (0.33) ADORA2AADORA1NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720037-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 EP disclosed
EP-4720036-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 EP disclosed
CN-115362153-B Azaspiro compounds as monoacylglycerol lipase modulators 詹森药业有限公司 2025-01-07 CN disclosed
WO-2024243692-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF QUEEN'S UNIVERSITY AT KINGSTON (CA) 2024-12-05 WO disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-11897872-B2 Azaspirocycles as monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2024-02-13 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-20230227438-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-07-20 US disclosed
EP-3694861-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Nuvation Bio Inc. (US) 2020-08-19 EP disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
CN-108290838-A Biaryl derivatives and drugs containing the same 科研制药株式会社 2018-07-17 CN disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-4474958-A 2-Alkyl-5-halopyrimidines THE DOW CHEMICAL COMPANY (US) 1984-10-02 US disclosed
EP-0097451-A1 2-Alkyl-5-pyrimidines THE DOW CHEMICAL COMPANY (US) 1984-01-04 EP 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 (8 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-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH ADORA2A 1470/4885ADORA1 1414/4885NUDT1 1300/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ADORA2A 1470/4885ADORA1 1414/4885NUDT1 1300/4885
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LPAR1 ADORA2A 501/4885ADORA1 894/4885NUDT1 3542/4885
US-11897872-B2 Azaspirocycles as monoacylglycerol lipase modulators MGLL, LPAR1, LPL ADORA2A 358/4885ADORA1 668/4885NUDT1 3518/4885
US-20230227438-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPAR1, LPL ADORA2A 358/4885ADORA1 668/4885NUDT1 3518/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 ADORA2A 3757/4885ADORA1 4416/4885NUDT1 278/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH ADORA2A 3542/4885ADORA1 3495/4885NUDT1 3270/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ADORA2A 420/4885ADORA1 63/4885NUDT1 2012/4885

“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.