SCHEMBL3661051

SCHEMBL3661051

[c]1sccc1-c1ncccn1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP19A1 P11511 1/20 0.31
PDK1 Q15118 1/20 0.31

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
SCHEMBL543115 0.77 KDM4E (0.50) CYP2A6TDP1CYP19A1
SCHEMBL2126189 0.70 PDPK1 (0.45) CYP2A6PDK1
SCHEMBL8087933 0.66 CYP1A2 (0.44)
SCHEMBL4507635 0.66 MAPT (0.43) CYP2A6
SCHEMBL117020 0.64 CYP3A4 (0.41) CYP2A6TDP1
SCHEMBL4031084 0.63 IDO1 (0.38)
SCHEMBL5757555 0.61 PDK1 (0.30) PDK1
SCHEMBL171853 0.61 HDAC8 (0.47) CYP2A6TDP1
SCHEMBL467198 0.60 KDM4E (0.35) CYP2A6TDP1
SCHEMBL1198354 0.60 CYP2A6 (0.37) CYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016154075-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-09-29 WO claimed
EP-1646638-A2 11-12 BICYCLIC ERYTHROMYCIN DERIVATIVES Enanta Pharmaceuticals, Inc. (US) 2006-04-19 EP claimed
WO-2004108746-A2 11-12 BICYCLIC ERYTHROMYCIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2004-12-16 WO claimed
WO-2004108745-A2 11-12 BICYCLIC ERYTHROMYCIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2004-12-16 WO claimed
US-6774115-B1 BACTERICIDES ENANTA PHARMACEUTICALS, INC. 2004-08-10 US claimed
EP-0432275-B1 SUBSTITUTED BICYCLOHEPTANDIONE DERIVATIVES NIPPON SODA CO (JP) 1995-03-01 EP claimed
US-4695567-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them and method of using them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-09-22 US claimed
US-11345689-B2 Compound and organic light emitting display device Shanghai Tianma AM-OLED Co., Ltd. (CN) 2022-05-31 US disclosed
US-20180370957-A1 COMPOUND AND ORGANIC LIGHT EMITTING DISPLAY DEVICE Shanghai Tianma AM-OLED Co., Ltd (CN) 2018-12-27 US disclosed
WO-2016154075-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-09-29 WO disclosed
EP-2509602-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS Cylene Pharmaceuticals, Inc. (US) 2012-10-17 EP disclosed
EP-2249833-A1 PRODRUGS OF CGRP RECEPTOR ANTAGONIST Merck Sharp & Dohme Corp. (US) 2010-11-17 EP disclosed
WO-2009100090-A1 PRODRUGS OF CGRP RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 2009-08-13 WO disclosed
US-6774115-B1 BACTERICIDES ENANTA PHARMACEUTICALS, INC. 2004-08-10 US disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed
US-6300360-B1 FOR THERAPY OF STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION 2001-10-09 US disclosed
US-6063956-A APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS WHERE CONTROL IS DESIRED ROHM AND HAAS COMPANY (US) 2000-05-16 US disclosed
EP-0432275-B1 SUBSTITUTED BICYCLOHEPTANDIONE DERIVATIVES NIPPON SODA CO (JP) 1995-03-01 EP disclosed
US-5330888-A Silver halide emulsion layer containing pyrrolotriazole cyan coupler and lipophilic phenol, sulfur compound or nitrogen compound FUJI PHOTO FILM CO., LTD. (JP) 1994-07-19 US disclosed
US-5187053-A Storage stability FUJI PHOTO FILM CO., LTD. (JP) 1993-02-16 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 (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-11345689-B2 Compound and organic light emitting display device DRD4, NECTIN4, DRD1 CYP2A6 1614/4885TDP1 1681/4885CYP19A1 2230/4885
US-20180370957-A1 COMPOUND AND ORGANIC LIGHT EMITTING DISPLAY DEVICE DRD4, NECTIN4, DRD1 CYP2A6 1614/4885TDP1 1681/4885CYP19A1 2230/4885

“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.