SCHEMBL3676235

SCHEMBL3676235

[C]1CCOc2ncccc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
AXL P30530 1/20 0.31
NUDT1 P36639 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL582082 0.80
SCHEMBL29945033 0.67 ITGB2 (0.50) ACHECA12CA1CA2CA9
SCHEMBL103232 0.67 ITGB2 (0.50) ACHECA12CA1CA2CA9
SCHEMBL1450831 0.67 ITGB2 (0.50)
SCHEMBL433176 0.67 ITGB2 (0.50)
SCHEMBL37725 0.67 CYP19A1 (0.33) ACHE
SCHEMBL6397097 0.65
SCHEMBL618831 0.65
SCHEMBL20898034 0.64 CHRNB4 (0.41) ACHE
SCHEMBL516859 0.63 GRM5 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233345-A1 SUBSTITUTED QUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-17 US claimed
EP-3180006-A1 SUBSTITUTED QUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-06-21 EP claimed
WO-2016023885-A1 SUBSTITUTED QUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-18 WO claimed
EP-2059502-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-05-20 EP claimed
WO-2008011392-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACUETICALS INCORPORATED (US) 2008-01-24 WO claimed
US-20170233345-A1 SUBSTITUTED QUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-17 US disclosed
EP-3180006-A1 SUBSTITUTED QUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-06-21 EP disclosed
EP-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed
WO-2016023885-A1 SUBSTITUTED QUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-18 WO disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-9221832-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-12-29 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
EP-2794563-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-10-29 EP disclosed
US-20140163035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2014-06-12 US disclosed
WO-2013093842-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-27 WO disclosed
EP-2167471-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2010-03-31 EP disclosed
EP-2059502-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-05-20 EP disclosed
WO-2008147544-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 WO disclosed
WO-2008011392-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACUETICALS INCORPORATED (US) 2008-01-24 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 (3 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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 ACHE 2704/4885AXL 1835/4885NUDT1 1832/4885
US-20170233345-A1 SUBSTITUTED QUINOLINE-4-CARBOXAMIDES AND USE THEREOF NQO2, SIRT5, BRD4 ACHE 521/4885AXL 3111/4885NUDT1 747/4885
US-20140163035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 ACHE 1113/4885AXL 468/4885NUDT1 562/4885

“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.