SCHEMBL4243128

SCHEMBL4243128

N#Cc1ccc(N)c(NCC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAP2K1 Q02750 2/20 0.41
▸ EGLN2 Q96KS0 3/20 0.40
▸ PTGER4 P35408 3/20 0.40
▸ VNN1 O95497 2/20 0.39
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ CHUK O15111 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ TTK P33981 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 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
SCHEMBL5881677 0.88 KDM4E (0.53) KDM4EALDH1A1GAAMAP2K1EGLN2
SCHEMBL4241825 0.85 MAP2K1 (0.37) KDM4EALDH1A1GAAMAP2K1PRKCQ
SCHEMBL4464361 0.81 KDM4E (0.49) KDM4EALDH1A1GAAEGLN2PTGER4
SCHEMBL4243928 0.80 KMT2A (0.38) KDM4EALDH1A1GAAMAP2K1
SCHEMBL7675 0.77 FASN (0.44) MAP2K1VNN1USP30KDM1A
SCHEMBL7673 0.77 FASN (0.44) MAP2K1VNN1USP30KDM1A
SCHEMBL3070346 0.77 LMNA (0.45) KDM4EALDH1A1GAAEGLN2SLC6A2
SCHEMBL1519177 0.76 PTGER4 (0.50) PTGER4PRKCQ
SCHEMBL29525774 0.76 IRAK4 (0.44) KDM4EALDH1A1GAAEGLN2
SCHEMBL432239 0.76 IRAK4 (0.44) KDM4EALDH1A1GAAEGLN2

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 KDM4E 2565/4885ALDH1A1 3962/4885GAA 766/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA KDM4E 3686/4885ALDH1A1 1198/4885GAA 2041/4885

“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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