SCHEMBL3775101

SCHEMBL3775101

Cc1n[nH]c2ccnc(NCCn3cncn3)c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
LRRK2 Q5S007 4/20 0.37
UTS2R Q9UKP6 8/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
CASP1 P29466 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.32

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
SCHEMBL3773018 0.78 CYP1A2 (0.42) LRRK2CYP3A4CYP2D6
SCHEMBL3775019 0.77 UTS2R (0.55) LRRK2UTS2RALDH1A1SMN1; SMN2CYP3A4
SCHEMBL3764126 0.76 GAA (0.38) LRRK2ALDH1A1MAPT
SCHEMBL13006154 0.76 ALDH1A1 (0.39) TLR8TLR7ALDH1A1MAPTSMN1; SMN2
SCHEMBL3775684 0.76 TLR8 (0.45) TLR8TLR7LRRK2UTS2RCYP3A4
SCHEMBL3805720 0.76 MAPK1 (0.52) ALDH1A1MAPTSMN1; SMN2CASP1CASP7
SCHEMBL3766765 0.75 LRRK2 (0.40) LRRK2UTS2RALDH1A1CYP3A4CYP2D6
SCHEMBL3766209 0.75 JAK2 (0.41) CYP3A4
SCHEMBL3772245 0.74 KIT (0.42) LRRK2UTS2RALDH1A1CYP3A4CYP2D6
SCHEMBL3768544 0.74 UTS2R (0.57) LRRK2UTS2RCYP3A4CYP2D6KCNH2

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 TLR8 1090/4885TLR7 173/4885LRRK2 2309/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 TLR8 1057/4885TLR7 177/4885LRRK2 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.