SCHEMBL17430359

SCHEMBL17430359

CCOC(=O)C1CCN(c2cc(-c3nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c4ccc(-c5cnn(C)c5)cc34)ccn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.39
DYRK1A Q13627 3/20 0.39
LRRK2 Q5S007 9/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
WNT1 P04628 2/20 0.37
GSK3B P49841 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
USP2 O75604 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL16025757 0.91 ITGB2 (0.44) DYRK1ALRRK2ITGB2ICAM1ITGAL
SCHEMBL16025905 0.84 ITGB2 (0.43) DYRK1ALRRK2ITGB2ICAM1ITGAL
SCHEMBL16025985 0.82 LRRK2 (0.49) LRRK2
SCHEMBL19671847 0.80 ALDH1A1 (0.36) RETALDH1A1MAPTITGB2ICAM1
SCHEMBL19671878 0.79 ITGB2 (0.46) DYRK1ALRRK2ITGB2ICAM1ITGAL
SCHEMBL16025986 0.76 AXL (0.42) DYRK1ALRRK2WNT1
SCHEMBL16025543 0.76 AXL (0.41) DYRK1ALRRK2GSK3B
SCHEMBL19672003 0.72 LRRK2 (0.47) LRRK2
SCHEMBL17430355 0.72 LRRK2 (0.49) LRRK2ITGB2ICAM1ITGAL
SCHEMBL31243590 0.71 GSK3B (0.52) DYRK1AWNT1GSK3B

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
EP-2964221-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
US-9440952-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-09-13 US disclosed
US-9440952-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-09-13 US disclosed
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 US disclosed
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 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 (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-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 RET 667/4885DYRK1A 337/4885LRRK2 1/4885

“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.