SCHEMBL26329863

SCHEMBL26329863

COc1ccnc2ccc(N3CCOC(C)C3)cc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.44
GAK O14976 3/20 0.43
TTK P33981 1/20 0.43
PDE10A Q9Y233 4/20 0.41
SYK P43405 2/20 0.41
ATR Q13535 2/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
IDH1 O75874 1/20 0.39

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
SCHEMBL25849444 0.86 KMT2A (0.47) LRRK2GAK
SCHEMBL26317979 0.85 IDH1 (0.41) LRRK2TTKPDE10ASYKCCNC
SCHEMBL24005893 0.83 CCNC (0.55) PDE10ACCNCCDK8
SCHEMBL26081274 0.82 LRRK2 (0.38) LRRK2SYKATRIDH1
SCHEMBL26318318 0.82 DOT1L (0.43)
SCHEMBL24532414 0.81 LMNA (0.45) LRRK2SYKATRIDH1
SCHEMBL24532297 0.81 LMNA (0.45) LRRK2SYKATRIDH1
SCHEMBL29681601 0.81 LMNA (0.45) LRRK2SYKATRIDH1
SCHEMBL29680917 0.81 LMNA (0.45) LRRK2SYKATRIDH1
SCHEMBL24532305 0.81 LMNA (0.45) LRRK2SYKATRIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR LRRK2 507/4885GAK 499/4885TTK 1031/4885

“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.