SCHEMBL2995968

SCHEMBL2995968

CNc1cccc2c(OC)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.46
IDO1 P14902 2/20 0.44
APP P05067 2/20 0.43
PLK1 P53350 1/20 0.43
EP300 Q09472 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
POLB P06746 1/20 0.42
FABP4 P15090 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
IMPDH2 P12268 1/20 0.40

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
SCHEMBL8852163 0.88 CDC25B (0.54) CDC25BIDO1APPPLK1EP300
SCHEMBL8147899 0.82 IDO1 (0.58) CDC25BIDO1EP300KAT8POLB
SCHEMBL31116611 0.82 CA1 (0.61) IDO1EP300KAT8CA12CA1
SCHEMBL357145 0.82 CA1 (0.61) IDO1EP300KAT8CA12CA1
SCHEMBL20278436 0.82 IDO1 (0.47) CDC25BIDO1EP300KAT8CA12
SCHEMBL21783690 0.80 APP (0.38) APPPLK1POLBFABP4HTR1A
SCHEMBL18540802 0.79 IDO1 (0.49) CDC25BIDO1EP300KAT8CA12
SCHEMBL360496 0.78 CA1 (0.57) APPCA12CA1CA2CA4
SCHEMBL29636384 0.78 CA1 (0.57) APPCA12CA1CA2CA4
SCHEMBL12473426 0.77 CA1 (0.55) IDO1PLK1EP300KAT8CA12

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-08-03 US disclosed
US-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-10-29 US disclosed
US-9994586-B2 Monocyclic, thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of the same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-06-12 US disclosed
US-20170141372-A1 POROUS LAYER FOR NONAQUEOUS ELECTROLYTE SECONDARY BATTERY SEPARATOR, AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY LAMINATED SEPARATOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-18 US disclosed
WO-2017031176-A1 MONOCYCLIC, THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF THE SAME DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-02-23 WO disclosed
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2017-02-23 US disclosed
US-20130286338-A1 Liquid Crystal Display Device and Method of Fabricating the Same LG DISPLAY CO LTD (KR) 2013-10-31 US disclosed
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-20100239744-A1 PROCESS FOR PRODUCING POROUS FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
US-20100216028-A1 LAMINATED POROUS FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-26 US disclosed
US-20100203326-A1 AROMATIC LIQUID-CRYSTALLINE POLYESTER AMIDE COPOLYMER, PREPREG INCLUDING THE SAME, PREPREG LAMINATE INCLUDING THE PREPREG, METAL FILM LAMINATE INCLUDING THE PREPREG, AND PRINTED WIRING BOARD INCLUDING THE PREPREG SAMSUNG FINE CHEMICALS CO., LTD. (KR) 2010-08-12 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100159318-A1 LAMINATED POROUS FILM SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-2152671-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-02-17 EP disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 WO disclosed
US-20070077416-A1 Substrate for flexible wiring and method for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED 2007-04-05 US disclosed
US-7193020-B2 Film and laminate of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-20 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 (4 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-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS OPRM1, OPRK1, OPRD1 CDC25B 4612/4885IDO1 599/4885APP 4321/4885
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TYMS, THPO CDC25B 341/4885IDO1 1580/4885APP 4153/4885
US-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TPX2, TYMS CDC25B 430/4885IDO1 1194/4885APP 3764/4885
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same CYP4F3, TYMS, DPYD CDC25B 2063/4885IDO1 765/4885APP 4559/4885

“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.