SCHEMBL3773350

SCHEMBL3773350

Cc1n[nH]c2ccnc(NC(CO)C(C)C)c12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.41
EIF2AK2 P19525 1/20 0.40
UTS2R Q9UKP6 1/20 0.35
TRPV3 Q8NET8 1/20 0.34
CDK2 P24941 10/20 0.34
CCNA2 P20248 9/20 0.34
CCNA1 P78396 9/20 0.34
CDK5 Q00535 9/20 0.34
DYRK1A Q13627 9/20 0.34
CDK5R1 Q15078 9/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
FYN P06241 1/20 0.33
CCNE1 P24864 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
SCHEMBL3774718 1.00 LRRK2 (0.41) LRRK2EIF2AK2UTS2RTRPV3CDK2
SCHEMBL3773344 1.00 LRRK2 (0.41) LRRK2EIF2AK2UTS2RTRPV3CDK2
SCHEMBL3766338 0.83 LRRK2 (0.47) LRRK2UTS2R
SCHEMBL3774882 0.83 LRRK2 (0.47) LRRK2UTS2R
SCHEMBL3764164 0.83 LRRK2 (0.47) LRRK2UTS2R
SCHEMBL3768838 0.82 LRRK2 (0.59) LRRK2UTS2R
SCHEMBL3775671 0.80 LRRK2 (0.63) LRRK2UTS2R
SCHEMBL3771445 0.80 LRRK2 (0.63) LRRK2UTS2R
SCHEMBL3762236 0.80 LRRK2 (0.63) LRRK2UTS2R
SCHEMBL19566614 0.78 LRRK2 (0.48) LRRK2UTS2R

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 3 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
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

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 2309/4885EIF2AK2 4332/4885UTS2R 452/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885EIF2AK2 4279/4885UTS2R 454/4885

“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.