SCHEMBL1884647

SCHEMBL1884647

CCOc1ccc(-n2ccnc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.77
CYP2C9 P11712 10/20 0.77
CYP3A4 P08684 8/20 0.77
CYP1A2 P05177 7/20 0.77
CYP2C19 P33261 6/20 0.77
CYP19A1 P11511 1/20 0.77
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
LMNA P02545 2/20 0.55
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
MAPT P10636 1/20 0.53

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
SCHEMBL14129854 0.87 CYP2D6 (1.00) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL2608837 0.82 CYP2D6 (0.66) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL12250979 0.82 CYP2D6 (0.66) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL7068561 0.82 CYP2D6 (0.77) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL28260351 0.81 CYP2D6 (0.76) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL285074 0.80 CYP11B1 (0.73) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL6573617 0.80 CYP2D6 (0.72) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL9451421 0.80 CYP2D6 (0.72) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL9471631 0.80 CYP2D6 (0.77) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL5202195 0.80 CYP2D6 (0.72) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed
EP-0028410-B1 USE OF THROMBOXANE-SYNTHETASE INHIBITING COMPOUNDS IN THE TREATMENT OF OBESITY AND THE LOWERING OF INSULIN LEVELS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-09-30 EP claimed
US-4500540-A DIETETICS HOFFMANN-LA ROCHE INC. (US) 1985-02-19 US claimed
EP-2739572-B1 EXTRACTION OF METAL (IONS) BY MEANS OF IONIC LIQUIDS UNIV DRESDEN TECH (DE) 2017-03-01 EP disclosed
EP-2254871-B1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS UNIV DRESDEN TECH (DE) 2016-11-09 EP disclosed
EP-2254871-B1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS UNIV DRESDEN TECH (DE) 2016-11-09 EP disclosed
US-9260397-B2 Salts comprising aryl-alkyl-substituted imidazolium and triazolium cations and the use thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2016-02-16 US disclosed
US-9260397-B2 Salts comprising aryl-alkyl-substituted imidazolium and triazolium cations and the use thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2016-02-16 US disclosed
CN-104507473-A Antiviral drug for treatment of arenavirus infection SIGA TECHNOLOGIES INC 2015-04-08 CN disclosed
EP-2814486-A2 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION Kineta Four LLC (US) 2014-12-24 EP disclosed
WO-2013123215-A2 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. (US) 2013-08-22 WO disclosed
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
US-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2011-05-05 US disclosed
US-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2011-05-05 US disclosed
EP-2254871-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS Technische Universität Dresden (DE) 2010-12-01 EP disclosed
WO-2009095012-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AND THE USE THEREOF Technische Universität Dresden (DE) 2009-08-06 WO disclosed
WO-2009095012-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AND THE USE THEREOF Technische Universität Dresden (DE) 2009-08-06 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 (2 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 CYP2D6 2036/4885CYP2C9 122/4885CYP3A4 1260/4885
US-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof RDX, HAX1, CHRM2 CYP2D6 685/4885CYP2C9 351/4885CYP3A4 320/4885

“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.