SCHEMBL3761990

SCHEMBL3761990

O=C(Nc1ccncc1)c1ccc(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.43
S1PR1 P21453 2/20 0.42
NAMPT P43490 2/20 0.41
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39

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
SCHEMBL3772990 0.96 LRRK2 (0.43) LRRK2S1PR1NAMPTCTNNB1TCF7L2
SCHEMBL3775223 0.91 LRRK2 (0.44) LRRK2S1PR1CTNNB1TCF7L2
SCHEMBL3772259 0.88 SMN1; SMN2 (0.44) LRRK2S1PR1
SCHEMBL3770280 0.88 FLT3 (0.43) LRRK2S1PR1CTNNB1TCF7L2
SCHEMBL13006076 0.88 FLT3 (0.41) LRRK2S1PR1CTNNB1TCF7L2
SCHEMBL3766325 0.87 PARP1 (0.45) LRRK2
SCHEMBL13006065 0.86 LRRK2 (0.47) LRRK2
SCHEMBL381702 0.86 LRRK2 (0.48) LRRK2
SCHEMBL414158 0.86 LRRK2 (0.53) LRRK2
SCHEMBL3780416 0.85 LRRK2 (0.48) LRRK2S1PR1

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 2309/4885S1PR1 698/4885NAMPT 1960/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885S1PR1 691/4885NAMPT 2020/4885

“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.