SCHEMBL3774864

SCHEMBL3774864

Cc1n[nH]c2ccnc(Nc3ccccc3S(C)(=O)=O)c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.44
ALK Q9UM73 2/20 0.41
TYK2 P29597 5/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
KCNH2 Q12809 1/20 0.39
GRM4 Q14833 3/20 0.38
ADRA1A P35348 3/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
EPHB4 P54760 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
GAA P10253 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
SCHEMBL3774577 0.82 LRRK2 (0.47) LRRK2GRM4ADRA1ACDK9ADRA2A
SCHEMBL461867 0.80 LRRK2 (0.64) LRRK2GRM4PTK2GAA
SCHEMBL3766773 0.80 EGFR (0.52) LRRK2GRM4GAA
SCHEMBL3764074 0.78 MEN1 (0.46) LRRK2GAA
SCHEMBL3768601 0.78 PIP4K2C (0.50) LRRK2JAK1KCNH2GRM4JAK3
SCHEMBL3774654 0.77 GAA (0.44) LRRK2KCNH2GAA
SCHEMBL3768977 0.76 LRRK2 (0.48) LRRK2JAK1GRM4JAK3CDK9
SCHEMBL3774794 0.76 GRM4 (0.50) LRRK2GRM4
Ammonia Solution, Strong SCHEMBL381919 0.76 MAPT (0.42) LRRK2ADRA2AGAA
SCHEMBL3766326 0.76 HTT (0.49) LRRK2GAA

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 LRRK2 2309/4885ALK 114/4885TYK2 1181/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885ALK 110/4885TYK2 1166/4885

“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.