SCHEMBL17128283

SCHEMBL17128283

O=c1c(I)c[nH]c2c(Cl)ccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.44
▸ DAO P14920 1/20 0.42
▸ DYRK1A Q13627 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ APP P05067 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 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
SCHEMBL16593421 0.85 KDM5A (0.45) KDM5AKDM4CDAODYRK1AKDM4E
SCHEMBL17128335 0.75 DRD2 (0.39) KDM5AKDM4CDAODYRK1ALMNA
SCHEMBL13903470 0.72 KDM5A (0.46) KDM5AKDM4CDAODYRK1AMMP14
SCHEMBL28380264 0.71 MAPK1 (0.48) KDM5AKDM4CDAODYRK1AKDM4E
SCHEMBL27595486 0.70 KDM5A (0.45) KDM5AKDM4CDAODYRK1AKDM4E
SCHEMBL13909686 0.70 KDM5A (0.45) KDM5AKDM4CDAODYRK1AKDM4E
SCHEMBL27595634 0.69 KDM5A (0.47) KDM5AKDM4CDAODYRK1AKDM4E
SCHEMBL17128274 0.69 CCR8 (0.47) KDM5AKDM4CDAODYRK1AKDM4E
SCHEMBL6733348 0.69 KDM4C (0.69) KDM5AKDM4CDAOKDM4EALDH1A1
SCHEMBL21042568 0.68 KDM5A (0.54) KDM5AKDM4CDAOKDM4EALDH1A1

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
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

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 KDM5A 694/4885KDM4C 810/4885DAO 4223/4885

“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.

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