SCHEMBL3775229

SCHEMBL3775229

Cc1n[nH]c2ccnc(Nc3ccc(N4CCCC4)nc3)c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.44
JAK2 O60674 4/20 0.44
LRRK2 Q5S007 4/20 0.43
GRM4 Q14833 3/20 0.39
MYLK4 Q86YV6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
STK17A Q9UEE5 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
WNT1 P04628 1/20 0.37
ACVR1 Q04771 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL3769046 0.99 SYK (0.46) SYKJAK2LRRK2GRM4MYLK4
SCHEMBL3766184 0.90 GAA (0.47) LRRK2GRM4
SCHEMBL3774600 0.80 LRRK2 (0.44) LRRK2GRM4
SCHEMBL3763899 0.76 GRM4 (0.51) LRRK2GRM4
SCHEMBL3766328 0.76 IGF1R (0.46) LRRK2
SCHEMBL3775329 0.76 LRRK2 (0.61) LRRK2GRM4
SCHEMBL3769241 0.76 CDK2 (0.48) SYKJAK2CLK4STK17ATBK1
SCHEMBL3774961 0.76 CCNE1 (0.48) JAK2LRRK2GRM4CLK4TBK1
SCHEMBL3774496 0.76 GRM5 (0.47) LRRK2GRM4
SCHEMBL3774932 0.75 LRRK2 (0.66) SYKJAK2LRRK2

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 SYK 2282/4885JAK2 1557/4885LRRK2 2309/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 SYK 2298/4885JAK2 1492/4885LRRK2 2208/4885

“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.