SCHEMBL3769220

SCHEMBL3769220

Cc1n[nH]c2ccnc(Nc3ccc4ncsc4c3)c12

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.70
PRKD1 Q15139 1/20 0.46
SYK P43405 2/20 0.42
TGFBR1 P36897 1/20 0.42
IKBKB O14920 5/20 0.41
EGFR P00533 2/20 0.41
RIPK1 Q13546 1/20 0.41
TOP2A P11388 1/20 0.40
PLK1 P53350 1/20 0.39
CHUK O15111 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
GRM4 Q14833 1/20 0.38
RIPK2 O43353 1/20 0.38
RIPK3 Q9Y572 1/20 0.38

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
SCHEMBL3770580 0.91 LRRK2 (0.57) LRRK2TGFBR1EGFRRIPK2RIPK3
SCHEMBL3775905 0.82 LRRK2 (0.46) LRRK2GRM4
SCHEMBL13006164 0.79 LRRK2 (0.44) LRRK2GRM4
SCHEMBL13060922 0.79 MAPT (0.45) LRRK2GRM4
SCHEMBL3775844 0.79 ADRA2A (0.50) LRRK2EGFR
SCHEMBL3774841 0.78 KMT2A (0.52) LRRK2SYKGRM4
SCHEMBL3768341 0.78 GRM4 (0.59) LRRK2EGFRGRM4
SCHEMBL3769990 0.78 LRRK2 (0.42) LRRK2EGFRGRM4
SCHEMBL3770441 0.78 GRM4 (0.61) LRRK2TGFBR1EGFRGRM4
SCHEMBL3775329 0.77 LRRK2 (0.61) LRRK2EGFRGRM4

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 5 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

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 2309/4885PRKD1 3643/4885SYK 2282/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885PRKD1 3639/4885SYK 2298/4885

“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.