SCHEMBL20640705

SCHEMBL20640705

CCC(CCOS(C)(=O)=O)Nc1nc(Cl)ncc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
SCN9A Q15858 1/20 0.33
GLP1R P43220 1/20 0.33
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TLR9 Q9NR96 1/20 0.31
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
LRRK2 Q5S007 1/20 0.30
S100A9 P06702 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
SCHEMBL20640650 0.89 STK17B (0.34) CRHR1STK17BSTK17A
SCHEMBL20640625 0.85 GLP1R (0.36) STK17BSTK17AGLP1RLRRK2S100A9
SCHEMBL20640658 0.83 STK17B (0.34) STK17BSTK17ATLR9LRRK2S100A9
SCHEMBL20652358 0.80 CRHR1 (0.48) CRHR1STK17BSTK17AADORA3ADORA2A
SCHEMBL20640580 0.78 CRHR1 (0.39) CRHR1STK17BSTK17ANPC1ALDH1A1
SCHEMBL1937589 0.74 KDM4E (0.45) CRHR1STK17BSTK17ANPC1ALDH1A1
SCHEMBL2062265 0.70 GLP1R (0.39) STK17BSTK17AGLP1RNPC1ALDH1A1
SCHEMBL1937476 0.70 GLP1R (0.44) CRHR1STK17BSTK17AGLP1RNPC1
SCHEMBL20640575 0.69 STK17B (0.37) CRHR1STK17BSTK17ANPC1HTT
SCHEMBL20652190 0.69 CRHR1 (0.36) CRHR1STK17BSTK17A

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 4 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
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 CRHR1 4602/4885STK17B 204/4885STK17A 264/4885

“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.