SCHEMBL534206

SCHEMBL534206

CC1(C)OB(c2ccccc2CC#N)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 11/20 0.39
LIPG Q9Y5X9 11/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ESR2 Q92731 1/20 0.36
CXCR2 P25025 2/20 0.35
ANPEP P15144 1/20 0.32
LAP3 P28838 1/20 0.32
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL30821196 1.00 LPL (0.39) LPLLIPGALDH1A1HPGDESR2
SCHEMBL23210795 0.86 JAK2 (0.36) LPLLIPGALDH1A1HPGDESR2
SCHEMBL31436730 0.86 JAK2 (0.36) LPLLIPGALDH1A1HPGDESR2
SCHEMBL13202078 0.79 LPL (0.43) LPLLIPGCXCR2ANPEPLAP3
SCHEMBL26078399 0.78 CYP2A6 (0.39) LPLLIPGESR2
SCHEMBL29178976 0.78 ESR2 (0.33) LPLLIPGESR2
SCHEMBL29985266 0.78 LPL (0.40) LPLLIPGALDH1A1CXCR2ANPEP
SCHEMBL21273391 0.78 LPL (0.40) LPLLIPGALDH1A1CXCR2ANPEP
SCHEMBL17196238 0.77 LPL (0.42) LPLLIPGCXCR2ANPEPLAP3
SCHEMBL2586990 0.77 LPL (0.42) LPLLIPGCXCR2ANPEPLAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363709-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2022-11-17 US disclosed
US-11453675-B2 Imidazo[1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-09-27 US disclosed
US-20210309661-A1 IMIDAZO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-10-07 US disclosed
US-10787454-B2 Imidazo[1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders BIAL—BioTech Investments, Inc. (PT) 2020-09-29 US disclosed
US-10385022-B2 3-amino-pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2019-08-20 US disclosed
US-20190119283-A1 IMIDAZO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2019-04-25 US disclosed
EP-3440083-A1 IMIDAZO [1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Lysosomal Therapeutics Inc. (US) 2019-02-13 EP disclosed
US-9920061-B2 Imidazo[1,5-A]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2018-03-20 US disclosed
US-20170349599-A1 IMIDAZO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2017-12-07 US disclosed
US-9809592-B2 Isopropyl triazolo pyridine compounds ELI LILLY AND COMPANY (US) 2017-11-07 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
EP-2414363-A1 1-HETEROCYCLYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS Boehringer Ingelheim International GmbH (DE) 2012-02-08 EP disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed
US-20110082137-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-07 US disclosed
WO-2010112437-A1 1-HETEROCYCLYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 WO disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
WO-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 WO disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US 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 (12 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-20220363709-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 LPL 929/4885LIPG 777/4885ALDH1A1 527/4885
US-20190119283-A1 IMIDAZO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, GBA2 LPL 1471/4885LIPG 2847/4885ALDH1A1 1121/4885
US-10385022-B2 3-amino-pyridines as GPBAR1 agonists GPBAR1, ADRA1B, GPR119 LPL 4134/4885LIPG 4375/4885ALDH1A1 446/4885
US-10787454-B2 Imidazo[1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders GBA1, GAA, GBA2 LPL 1471/4885LIPG 2847/4885ALDH1A1 1121/4885
US-20110082137-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CHRM1, CHRM2, CHRM5 LPL 4575/4885LIPG 4795/4885ALDH1A1 1235/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP LPL 2671/4885LIPG 1260/4885ALDH1A1 1225/4885
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 LPL 2897/4885LIPG 3505/4885ALDH1A1 388/4885
US-11453675-B2 Imidazo[1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders GBA1, GAA, GBA2 LPL 1471/4885LIPG 2847/4885ALDH1A1 1121/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP LPL 2671/4885LIPG 1260/4885ALDH1A1 1225/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP LPL 2671/4885LIPG 1260/4885ALDH1A1 1225/4885
US-20170349599-A1 IMIDAZO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, GBA2 LPL 1471/4885LIPG 2847/4885ALDH1A1 1121/4885
US-20210309661-A1 IMIDAZO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, GBA2 LPL 1471/4885LIPG 2847/4885ALDH1A1 1121/4885

“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.