SCHEMBL20640609

SCHEMBL20640609

Cc1c([N+](=O)[O-])c(Br)nn1C1CCOCC1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL20640636 0.86 LRRK2 (0.34) MAPK1NPSR1MAPT
SCHEMBL20640656 0.86 ALDH1A1 (0.30) MAPK1NPSR1MAPT
SCHEMBL20640710 0.85 MAPK1 (0.33) MAPK1NPSR1MAPT
SCHEMBL20640582 0.80 MAPK1 (0.36) MAPK1NPSR1MAPT
SCHEMBL20640818 0.80
SCHEMBL20640600 0.79 MAPK1 (0.33) MAPK1NPSR1MAPT
SCHEMBL16985380 0.74 ALDH1A1 (0.35) NPSR1MAPT
SCHEMBL20640645 0.73
SCHEMBL20640613 0.72
SCHEMBL20640832 0.72 LRRK2 (0.34) MAPK1NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4660/4885MAPT 27/4885

“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.