SCHEMBL18436325

SCHEMBL18436325

Cc1cnc(N2CC(C)OC(C)C2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
AOC3 Q16853 2/20 0.44
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.38
KCNH2 Q12809 2/20 0.38
GPR119 Q8TDV5 2/20 0.38
LRRK2 Q5S007 1/20 0.38
ACVR1 Q04771 1/20 0.37
MAP3K12 Q12852 1/20 0.37

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
SCHEMBL18436518 1.00 KMT2A (0.47) KMT2AKDM4EALDH1A1GAAAOC3
SCHEMBL16472349 0.82 KCNH2 (0.40) AOC3KCNH2GPR119
SCHEMBL16588022 0.82 KCNH2 (0.40) AOC3KCNH2GPR119
SCHEMBL11941019 0.82 PIK3CA (0.48) KMT2AKDM4EALDH1A1GAAAOC3
SCHEMBL19012693 0.81 KMT2A (0.44) KMT2AKDM4EALDH1A1GAAAOC3
SCHEMBL19012666 0.81 KMT2A (0.44) KMT2AKDM4EALDH1A1GAAAOC3
SCHEMBL13105523 0.80 KMT2A (0.43) KMT2AKDM4EALDH1A1GAAAOC3
SCHEMBL20034308 0.80 KMT2A (0.43) KMT2AKDM4EALDH1A1GAAAOC3
SCHEMBL19001152 0.80 KMT2A (0.43) KMT2AKDM4EALDH1A1GAAAOC3
SCHEMBL19012603 0.80 KMT2A (0.43) KMT2AKDM4EALDH1A1GAAAOC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP 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 (1 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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH KMT2A 325/4885KDM4E 415/4885ALDH1A1 892/4885

“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.