SCHEMBL4243928

SCHEMBL4243928

N#Cc1ccc(N)c(NCCC2CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 1/20 0.37
▸ ACP1 P24666 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ BCHE P06276 2/20 0.35
▸ ACHE P22303 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 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
▸ BRCA1 P38398 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NOS3 P29474 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
SCHEMBL4241825 0.94 MAP2K1 (0.37) ACP1KDM4EALDH1A1GAABCHE
SCHEMBL4243128 0.80 KDM4E (0.42) KDM4EALDH1A1GAAMAP2K1
SCHEMBL4241430 0.77 KAT2B (0.48) KMT2ATSHRALDH1A1GAAMEN1
SCHEMBL5776093 0.76 KDM4E (0.41) KMT2AKDM4EALDH1A1GAAMEN1
SCHEMBL20571668 0.76 KDM4E (0.41) KMT2AKDM4EALDH1A1GAARECQL
SCHEMBL29484071 0.76 KDM4E (0.41) KMT2AKDM4EALDH1A1GAAMEN1
SCHEMBL20571616 0.76 KAT2B (0.42) KDM4EALDH1A1GAALMNAMAPT
SCHEMBL14421587 0.76 KDM4E (0.41) KMT2AKDM4EALDH1A1GAAMEN1
SCHEMBL4245750 0.75 KDM4E (0.38) KDM4EALDH1A1GAALMNAMAPT
SCHEMBL4241916 0.75 KDM4E (0.51) KMT2ATSHRKDM4EALDH1A1GAA

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
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 — — US disclosed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 — — EP disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 — — US disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 — — WO disclosed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 — — EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 — — 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 (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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 KMT2A 2981/4885TSHR 4520/4885ACP1 693/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA KMT2A 3096/4885TSHR 1457/4885ACP1 2962/4885

“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.

Send feedback