SCHEMBL4241825

SCHEMBL4241825

N#Cc1ccc(N)c(NCCC2CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ KAT2B Q92831 1/20 0.36
▸ DRD2 P14416 6/20 0.35
▸ DRD3 P35462 4/20 0.34
▸ PRKCQ Q04759 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ EBP Q15125 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ CHEK1 O14757 1/20 0.32

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
SCHEMBL4243928 0.94 KMT2A (0.38) MAP2K1KDM4EALDH1A1GAABCHE
SCHEMBL4243128 0.85 KDM4E (0.42) MAP2K1KDM4EALDH1A1GAAPRKCQ
SCHEMBL5776093 0.78 KDM4E (0.41) KDM4EALDH1A1GAAKAT2BDRD2
SCHEMBL20571616 0.78 KAT2B (0.42) MAP2K1KDM4EALDH1A1GAAKAT2B
SCHEMBL20571668 0.78 KDM4E (0.41) MAP2K1KDM4EALDH1A1GAAKAT2B
SCHEMBL29484071 0.78 KDM4E (0.41) MAP2K1KDM4EALDH1A1GAAKAT2B
SCHEMBL14421587 0.78 KDM4E (0.41) MAP2K1KDM4EALDH1A1GAAKAT2B
SCHEMBL4245750 0.78 KDM4E (0.38) KDM4EALDH1A1GAAKAT2BDRD2
SCHEMBL4243967 0.77 KAT2B (0.51) GAAKAT2B
SCHEMBL763192 0.76 KAT2B (0.43) KDM4EALDH1A1GAAKAT2BDRD2

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 MAP2K1 3156/4885KDM4E 2565/4885ALDH1A1 3962/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA MAP2K1 1364/4885KDM4E 3686/4885ALDH1A1 1198/4885

“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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