SCHEMBL16025985

SCHEMBL16025985

Cn1cc(-c2ccc3c(c2)c(-c2ccnc(N4CC(O)C4)c2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 17/20 0.49
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
AXL P30530 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 0.86 ITGB2 (0.44) LRRK2
SCHEMBL16025986 0.84 AXL (0.42) LRRK2PIM1AXL
SCHEMBL16025543 0.83 AXL (0.41) LRRK2PIM1AXL
SCHEMBL17430359 0.82 RET (0.39) LRRK2
SCHEMBL16025905 0.79 ITGB2 (0.43) LRRK2
SCHEMBL16025827 0.76 LRRK2 (0.79) LRRK2AXL
SCHEMBL19671944 0.74 AXL (0.44) PIM1PIM2AXL
SCHEMBL16025656 0.74 LRRK2 (0.35) LRRK2
SCHEMBL16023040 0.74 LRRK2 (0.60) LRRK2
SCHEMBL16014363 0.73 AXL (0.43) AXL

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 6 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
WO-2014137728-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-09-12 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-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 LRRK2 1/4885PIM1 695/4885PIM3 543/4885

“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.