SCHEMBL3775684

SCHEMBL3775684

Cc1n[nH]c2ccnc(NCCCn3cccn3)c12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
UTS2R Q9UKP6 12/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
LRRK2 Q5S007 2/20 0.36
NLRP3 Q96P20 1/20 0.36
BPTF Q12830 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
MITF O75030 1/20 0.33
POLB P06746 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL3805720 0.80 MAPK1 (0.52) POLB
SCHEMBL3775019 0.79 UTS2R (0.55) UTS2RCYP3A4CYP2D6KCNH2LRRK2
SCHEMBL3780547 0.78 UTS2R (0.43) UTS2RCYP3A4CYP2D6KCNH2LRRK2
SCHEMBL3775101 0.76 TLR8 (0.38) TLR8TLR7UTS2RCYP3A4CYP2D6
SCHEMBL3768424 0.74 UTS2R (0.44) UTS2RCYP3A4CYP2D6KCNH2LRRK2
SCHEMBL3774568 0.74 ALDH1A1 (0.53) CYP3A4POLB
SCHEMBL3768759 0.73 UTS2R (0.60) UTS2RCYP3A4CYP2D6KCNH2
SCHEMBL3772245 0.73 KIT (0.42) UTS2RCYP3A4CYP2D6KCNH2LRRK2
SCHEMBL3768544 0.73 UTS2R (0.57) UTS2RCYP3A4CYP2D6KCNH2LRRK2
SCHEMBL3776613 0.73 UTS2R (0.57) UTS2RCYP3A4CYP2D6KCNH2LRRK2

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 TLR8 1090/4885TLR7 173/4885UTS2R 452/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 TLR8 1057/4885TLR7 177/4885UTS2R 454/4885

“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.