SCHEMBL2898655

SCHEMBL2898655

Brc1cnc(-n2cccn2)nc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.38
TDO2 P48775 1/20 0.38

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
SCHEMBL32810 0.80 KDM4E (0.46) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL28328153 0.79 NOTUM (0.52) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL18218832 0.79 ALDH1A1 (0.44) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL27992065 0.79 ADORA2A (0.47) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL30387071 0.76 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL24922507 0.75 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL2067481 0.75 LMNA (0.57) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL24921496 0.75 NPC1 (0.42) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL18150613 0.75 LMNA (0.40) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL18216845 0.75 KDM4E (0.40) ADORA2AADORA3ADORA2BADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109912661-A Pyrimidine with catalytic performance-pyrazoles ruthenium complex and preparation method thereof 厦门大学 2019-06-21 CN claimed
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-11-12 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
EP-3340981-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-10-12 EP disclosed
EP-4053117-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2022-09-07 EP disclosed
CN-114044800-A Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders 艾其林医药公司 2022-02-15 CN disclosed
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-07-11 US disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 US disclosed
EP-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 EP disclosed
EP-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 EP disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
WO-2013099041-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF 富士フイルム株式会社 (JP) 2013-07-04 WO disclosed
US-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2010-11-11 US disclosed
EP-1799677-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS Ranbaxy Laboratories Limited (IN) 2007-06-27 EP disclosed
WO-2006038100-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-13 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 (6 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-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 ADORA2A 1505/4885ADORA3 779/4885ADORA2B 852/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 ADORA2A 1690/4885ADORA3 863/4885ADORA2B 842/4885
US-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS OXA1L, PDK4, MLYCD ADORA2A 3865/4885ADORA3 3062/4885ADORA2B 4254/4885
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 ADORA2A 1505/4885ADORA3 779/4885ADORA2B 852/4885
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 ADORA2A 1505/4885ADORA3 779/4885ADORA2B 852/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 ADORA2A 1230/4885ADORA3 653/4885ADORA2B 1527/4885

“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.