SCHEMBL20640600

SCHEMBL20640600

Cc1c([N+](=O)[O-])c(Br)nn1C1CCCOC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CCNC P24863 1/20 0.31
CDK8 P49336 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
SCHEMBL25167837 0.85 MAPK1 (0.33) MAPK1NPSR1ALDH1A1GAAMAPT
SCHEMBL20640649 0.85 GAA (0.35) MAPK1NPSR1ALDH1A1GAAMAPT
SCHEMBL20640582 0.84 MAPK1 (0.36) MAPK1NPSR1ALDH1A1GAAMAPT
SCHEMBL25174186 0.81 MAPK1 (0.33) MAPK1NPSR1ALDH1A1GAAMAPT
SCHEMBL25176756 0.81 MAPK1 (0.33) MAPK1NPSR1ALDH1A1GAAMAPT
SCHEMBL20640559 0.79 CCNC (0.37) CCNCCDK8
SCHEMBL20640613 0.79
SCHEMBL20640609 0.79 MAPK1 (0.33) MAPK1NPSR1MAPT
SCHEMBL20640603 0.79
SCHEMBL26695907 0.78 ALDH1A1 (0.36) MAPK1NPSR1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425660-A Aromatic heterocyclic compound, intermediate thereof, pharmaceutical composition and application 上海翊石医药科技有限公司 2024-01-19 CN disclosed
WO-2023222005-A1 AROMATIC HETEROCYCLIC COMPOUND AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海翊石医药科技有限公司 2023-11-23 WO disclosed
US-20200392158-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-17 US disclosed
US-20200392158-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-17 US disclosed
EP-3652179-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 GlaxoSmithKline Intellectual Property Development Ltd (GB) 2020-05-20 EP disclosed
CN-110891954-A Inhibitors of leucine-rich repeat kinase 2 葛兰素史密斯克莱知识产权发展有限公司 2020-03-17 CN disclosed
WO-2019012093-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-17 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 (1 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-20200392158-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 LRRK2, PARK7, PINK1 MAPK1 232/4885NPSR1 4660/4885ALDH1A1 4577/4885

“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.