SCHEMBL3766765

SCHEMBL3766765

Cc1cc(C)n(CCNc2nccc3[nH]nc(C)c23)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.40
GLS O94925 1/20 0.38
HPGD P15428 1/20 0.37
UTS2R Q9UKP6 5/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP8 Q14790 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GRM4 Q14833 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
SCHEMBL3775019 0.78 UTS2R (0.55) LRRK2HPGDUTS2RKDM4ECYP3A4
SCHEMBL3775101 0.75 TLR8 (0.38) LRRK2UTS2RCASP1CASP3CYP3A4
SCHEMBL3780547 0.75 UTS2R (0.43) LRRK2UTS2RKDM4ECYP3A4CYP2D6
SCHEMBL3776613 0.75 UTS2R (0.57) LRRK2UTS2RKDM4ECYP3A4CYP2D6
SCHEMBL3768544 0.75 UTS2R (0.57) LRRK2UTS2RCYP3A4CYP2D6KCNH2
SCHEMBL3768424 0.74 UTS2R (0.44) LRRK2UTS2RMAPK1CYP3A4CYP2D6
SCHEMBL3768759 0.73 UTS2R (0.60) UTS2RKDM4EMAPK1CYP3A4CYP2D6
SCHEMBL3772245 0.73 KIT (0.42) LRRK2UTS2RKDM4ECYP3A4CYP2D6
SCHEMBL3762033 0.72 UTS2R (0.37) LRRK2UTS2RCYP3A4CYP2D6KCNH2
SCHEMBL3805720 0.72 MAPK1 (0.52) HPGDKDM4EMAPK1CASP1ALDH1A1

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 2309/4885GLS 3081/4885HPGD 3618/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885GLS 3022/4885HPGD 3653/4885

“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.