SCHEMBL3770580

SCHEMBL3770580

Cc1n[nH]c2ccnc(Nc3ccc4scnc4c3)c12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.57
RIPK2 O43353 19/20 0.44
RIPK3 Q9Y572 6/20 0.44
KDR P35968 2/20 0.42
EGFR P00533 1/20 0.41
TGFBR1 P36897 1/20 0.41

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
SCHEMBL3769220 0.91 LRRK2 (0.70) LRRK2RIPK2RIPK3EGFRTGFBR1
SCHEMBL3774841 0.83 KMT2A (0.52) LRRK2KDR
SCHEMBL3775905 0.82 LRRK2 (0.46) LRRK2
SCHEMBL13006164 0.81 LRRK2 (0.44) LRRK2
SCHEMBL13060922 0.79 MAPT (0.45) LRRK2
SCHEMBL3768341 0.78 GRM4 (0.59) LRRK2EGFR
SCHEMBL3775329 0.77 LRRK2 (0.61) LRRK2KDREGFR
SCHEMBL3762265 0.77 GRM4 (0.54) LRRK2KDR
SCHEMBL3775844 0.76 ADRA2A (0.50) LRRK2EGFR
SCHEMBL3769990 0.75 LRRK2 (0.42) LRRK2KDREGFR

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 2309/4885RIPK2 3953/4885RIPK3 2651/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885RIPK2 3986/4885RIPK3 2683/4885

“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.