SCHEMBL3777103

SCHEMBL3777103

Cc1n[nH]c2ccnc(Nc3ccn(C)n3)c12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.38
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
GCK P35557 6/20 0.35
SYK P43405 2/20 0.35
PRKD1 Q15139 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL3768979 0.78 AAK1 (0.41) LRRK2SYK
SCHEMBL3775353 0.77 GRM5 (0.43) LRRK2CCNE1CDK2
SCHEMBL3774932 0.75 LRRK2 (0.66) LRRK2SYK
SCHEMBL19548033 0.75 LRRK2 (0.38) LRRK2
SCHEMBL3774794 0.73 GRM4 (0.50) LRRK2CDK2
SCHEMBL3775329 0.73 LRRK2 (0.61) LRRK2
SCHEMBL3770033 0.72 LRRK2 (0.42) LRRK2NOTUM
SCHEMBL3764164 0.72 LRRK2 (0.47) LRRK2
SCHEMBL3774882 0.72 LRRK2 (0.47) LRRK2
SCHEMBL3766338 0.72 LRRK2 (0.47) LRRK2

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 2309/4885CCNE1 1556/4885CDK2 1783/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885CCNE1 1570/4885CDK2 1734/4885

“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.