SCHEMBL1960426

SCHEMBL1960426

COc1ncc(B(O)OC(C)(C)C(C)(C)O)c(OC)n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.32
CRHR1 P34998 1/20 0.30
CYP1A2 P05177 1/20 0.30
METAP2 P50579 1/20 0.30
QPCT Q16769 1/20 0.30
QPCTL Q9NXS2 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
SCHEMBL16048028 0.82 MEN1 (0.32)
SCHEMBL9591 0.78 QPCT (0.37) PLAUCRHR1CYP1A2METAP2QPCT
SCHEMBL31416622 0.77 CRHR1 (0.33) PLAUCRHR1CYP1A2METAP2QPCT
SCHEMBL15533777 0.74 KDM4E (0.31)
SCHEMBL929630 0.73 LMNA (0.36)
SCHEMBL14334896 0.72 SLC13A5 (0.35)
SCHEMBL15663127 0.71 PIK3CA (0.32)
SCHEMBL16654863 0.70 PIK3CA (0.33)
SCHEMBL16733612 0.70 LMNA (0.33)
SCHEMBL454719 0.70 MAPT (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109195965-B Inhibitors of WDR5 protein-protein binding 普罗佩纶治疗公司 2022-07-26 CN disclosed
CN-114790197-A CD73 inhibitor and application thereof in medicine 贝达药业股份有限公司 2022-07-26 CN disclosed
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8507481-B2 Benzoxazine oxazolidinone compounds, preparation methods and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-08-13 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF NANJING CHANGAO PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2013-05-16 US disclosed
EP-2578591-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Shanghai Institute Materia Medica, Chinese Academy Of Sciences (CN) 2013-04-10 EP disclosed
EP-2438064-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES Novartis AG (CH) 2012-04-11 EP disclosed
US-20110144331-A1 Cinnoline Compounds for the Treatment of Anxiety, Cognitive and Mood Disorders ASTRAZENECA AB (SE) 2011-06-16 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
EP-2167091-A1 CINNOLINE COMPOUNDS FOR USE IN THE TREATMENT OF SCHIZOPHRENIA AstraZeneca AB (SE) 2010-03-31 EP disclosed
US-20090036454-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2009-02-05 US disclosed
US-20090018112-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20080318925-A1 Compounds and Uses Thereof - 849 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
WO-2008155573-A1 CINNOLINE COMPOUNDS FOR USE IN THE TREATMENT OF SCHIZOPHRENIA ASTRAZENECA AB (SE) 2008-12-24 WO disclosed
US-7465795-B2 Compounds and uses thereof ASTRAZENECA AB (SE) 2008-12-16 US disclosed
EP-1966158-A1 SUBSTITUTED CINNOLINE DERIVATIVES AS GABAA-RECEPTOR MODULATORS AND METHOD FOR THEIR SYNTHESIS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007073283-A1 SUBSTITUTED CINNOLINE DERIVATIVES AS GABAA-RECEPTOR MODULATORS AND METHOD FOR THEIR SYNTHESIS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
US-20070142328-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2007-06-21 US disclosed
US-20070142382-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2007-06-21 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 (9 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-20070142328-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB PLAU 483/4885CRHR1 81/4885CYP1A2 428/4885
US-20070142382-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB PLAU 483/4885CRHR1 81/4885CYP1A2 428/4885
US-20110144331-A1 Cinnoline Compounds for the Treatment of Anxiety, Cognitive and Mood Disorders HTR7, HTR2C, CRH PLAU 3231/4885CRHR1 35/4885CYP1A2 455/4885
US-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF XDH, OXA1L, CYP3A5 PLAU 3070/4885CRHR1 3583/4885CYP1A2 57/4885
US-20090018112-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB PLAU 483/4885CRHR1 81/4885CYP1A2 428/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 PLAU 3983/4885CRHR1 2601/4885CYP1A2 2080/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 PLAU 3983/4885CRHR1 2601/4885CYP1A2 2080/4885
US-20090036454-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB PLAU 483/4885CRHR1 81/4885CYP1A2 428/4885
US-20080318925-A1 Compounds and Uses Thereof - 849 COMT, UGT1A9, BACE1 PLAU 408/4885CRHR1 647/4885CYP1A2 310/4885

“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.