SCHEMBL17128231

SCHEMBL17128231

N#Cc1ccc(-c2cccc3c(C4CC4)c(C(=O)O)cnc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.45
KDM4A O75164 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
PARP1 P09874 2/20 0.41
SLC22A12 Q96S37 3/20 0.39
HRH4 Q9H3N8 1/20 0.39
MAP4K4 O95819 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
LAP3 P28838 1/20 0.36
UCHL1 P09936 1/20 0.36
USP30 Q70CQ3 1/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
XDH P47989 1/20 0.35
CSF1R P07333 1/20 0.35

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
SCHEMBL17128238 0.85 PDE5A (0.44) CYP11B1CYP11B2
SCHEMBL18420199 0.82 KDM4A (0.40) BRS3KDM4AKDM5BPARP1SLC22A12
SCHEMBL18436757 0.81 HRH4 (0.43) KDM4AKDM5BHRH4LAP3CYP11B1
SCHEMBL17128318 0.79 BRS3 (0.43) BRS3KDM4AKDM5BPARP1SLC22A12
SCHEMBL17128328 0.76 HRH4 (0.42) KDM4AKDM5BHRH4LAP3UCHL1
SCHEMBL17128081 0.75 HRH4 (0.43) HRH4
SCHEMBL18436227 0.75 FASN (0.44) HRH4IRAK4
SCHEMBL21336678 0.75 SMO (0.53) IRAK4
SCHEMBL17128002 0.75 SMO (0.53) IRAK4
SCHEMBL21336962 0.74 HRH4 (0.40) KDM4AKDM5BSLC22A12HRH4IRAK4

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
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US 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
WO-2015144001-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS 南京明德新药研发股份有限公司 2015-10-01 WO disclosed
US-8986993-B2 SMAC mimetic for treating myelodysplastic syndromes TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2015-03-24 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 (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 BRS3 3586/4885KDM4A 548/4885KDM5B 353/4885

“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.