Sugi Predict

Sugi Predict / Compounds / SCHEMBL837526

SCHEMBL837526

SCHEMBL837526

O=C1CCc2c(Br)cccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.50
▸ MAPK13 O15264 1/20 0.50
▸ MAPK12 P53778 1/20 0.50
▸ MAPK11 Q15759 1/20 0.50
▸ MAPK14 Q16539 1/20 0.50
▸ PARP10 Q53GL7 1/20 0.43
▸ PARP11 Q9NR21 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CDK5 Q00535 2/20 0.42
▸ CCNB2 O95067 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ CSNK1A1 P48729 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42

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
SCHEMBL29732360 1.00 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL19938 0.82 CDK5 (0.54) NPC1PARP10PARP11MAPTCDK5
SCHEMBL29444532 0.82 CDK5 (0.54) NPC1PARP10PARP11MAPTCDK5
SCHEMBL3593984 0.78 NPC1 (0.52) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2234486 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1764170 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3212830 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL18885726 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3723532 0.77 SRD5A1 (0.57) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL98299 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 — — EP disclosed
US-20230144841-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC (US) 2023-05-11 — — US disclosed
US-20230144841-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC (US) 2023-05-11 — — US disclosed
US-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 — — US disclosed
EP-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 — — EP disclosed
US-11504364-B2 Inhibitors of fibroblast activation protein Praxis Biotech LLC (US) 2022-11-22 — — US disclosed
US-20220227773-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-07-21 — — US disclosed
CN-112010859-B Fused ring compound, preparation method and application thereof 中国科学院上海药物研究所 2022-07-19 — — CN disclosed
CN-108948019-B Focal adhesion kinase inhibitors and uses thereof 广东东阳光药业有限公司 2022-07-08 — — CN disclosed
EP-3978497-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-04-06 — — EP disclosed
WO-2014153055-A2 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 — — WO disclosed
US-8143266-B2 Aryl heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp (US) 2012-03-27 — — US disclosed
EP-1794133-B1 ARYL SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2011-12-14 — — EP disclosed
US-7989624-B2 Aryl spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-02 — — US disclosed
US-20100120809-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-05-13 — — US disclosed
EP-2146712-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2010-01-27 — — EP disclosed
WO-2008130524-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-30 — — WO disclosed
US-20080004304-A1 Aryl Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-01-03 — — US disclosed
EP-1794133-A2 ARYL SPIROLACTAM CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-06-13 — — EP disclosed
WO-2006031513-A2 ARYL SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 — — 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 (6 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-20230144841-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN FAP, FIBP, FRS2 NPC1 3869/4885MAPK13 930/4885MAPK12 1285/4885
US-20100120809-A1 ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR NPC1 599/4885MAPK13 3069/4885MAPK12 3751/4885
US-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 NPC1 3885/4885MAPK13 1472/4885MAPK12 1366/4885
US-11504364-B2 Inhibitors of fibroblast activation protein FAP, FIBP, FRS2 NPC1 3869/4885MAPK13 930/4885MAPK12 1285/4885
US-20080004304-A1 Aryl Spirolactam Cgrp Receptor Antagonists BDKRB1, BDKRB2, CALCRL NPC1 609/4885MAPK13 3051/4885MAPK12 2400/4885
US-20220227773-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SLC18A2, SLC6A3, SLC18A3 NPC1 485/4885MAPK13 1794/4885MAPK12 3248/4885

“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.