SCHEMBL3769245

SCHEMBL3769245

CC[C@@H](C)Oc1nccc2[nH]nc(C)c12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 17/20 0.53
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK8 P49336 1/20 0.34
CDK5 Q00535 1/20 0.34
ROCK1 Q13464 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MAP3K7 O43318 1/20 0.34
TAB1 Q15750 1/20 0.34

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
SCHEMBL382684 1.00 LRRK2 (0.53) LRRK2CDK1CCNB1CCNA2CDK2
SCHEMBL3764048 1.00 LRRK2 (0.53) LRRK2CDK1CCNB1CCNA2CDK2
SCHEMBL3774953 0.89 LRRK2 (0.43) LRRK2CDK8CDK5ROCK1CLK4
SCHEMBL3774938 0.89 LRRK2 (0.43) LRRK2CDK8CDK5ROCK1CLK4
SCHEMBL19564540 0.89 LRRK2 (0.43) LRRK2CDK8CDK5ROCK1CLK4
SCHEMBL19566976 0.87 LRRK2 (0.43) LRRK2
SCHEMBL19566702 0.87 LRRK2 (0.41) LRRK2CDK2CDK8CDK5ROCK1
SCHEMBL3775472 0.85 LRRK2 (0.59) LRRK2
SCHEMBL19548035 0.84 LRRK2 (0.40) LRRK2
SCHEMBL883125 0.84 LRRK2 (0.52) LRRK2CDK1CCNB1CCNA2CDK2

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
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (2 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2309/4885CDK1 1775/4885CCNB1 2114/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885CDK1 1780/4885CCNB1 2122/4885

“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.