SCHEMBL3768540

SCHEMBL3768540

Cc1n[nH]c2ccnc(Nc3ccc4c(c3)CN(C)CC4)c12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.43
BTK Q06187 1/20 0.41
LRRK2 Q5S007 3/20 0.39
GRM4 Q14833 3/20 0.39
MAP3K14 Q99558 2/20 0.39
SYK P43405 1/20 0.38
TNK2 Q07912 1/20 0.37
MKNK1 Q9BUB5 2/20 0.36
MAP4K1 Q92918 2/20 0.36
ROCK2 O75116 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 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
SCHEMBL3774961 0.81 CCNE1 (0.48) BTKLRRK2GRM4TNK2
SCHEMBL3775083 0.80 AXL (0.46) AXLLRRK2SYK
SCHEMBL16864468 0.78 LRRK2 (0.37) LRRK2GRM4
SCHEMBL3775329 0.77 LRRK2 (0.61) LRRK2GRM4
SCHEMBL13060922 0.76 MAPT (0.45) LRRK2GRM4
SCHEMBL3775370 0.75 LRRK2 (0.63) LRRK2GRM4MKNK1
SCHEMBL3763899 0.75 GRM4 (0.51) LRRK2GRM4MKNK1
SCHEMBL3766328 0.75 IGF1R (0.46) LRRK2
SCHEMBL3774794 0.74 GRM4 (0.50) LRRK2GRM4
SCHEMBL3769241 0.74 CDK2 (0.48) SYKTNK2ROCK2

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 6 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
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 AXL 1821/4885BTK 939/4885LRRK2 2309/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 AXL 1893/4885BTK 928/4885LRRK2 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.