SCHEMBL4245982

SCHEMBL4245982

CC(C)(C)CCNc1cc(C#N)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 2/20 0.52
▸ MAPT P10636 8/20 0.46
▸ LMNA P02545 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ VCAM1 P19320 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MERTK Q12866 1/20 0.40
▸ HTR6 P50406 2/20 0.39

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
SCHEMBL762635 0.83 KAT2B (0.60) KAT2BMAPTLMNAPKMVCAM1
SCHEMBL7371227 0.82 RAB9A (0.61) KAT2BMAPTLMNAPKMVCAM1
SCHEMBL6182039 0.82 MAPT (0.53) KAT2BMAPTLMNAPKMVCAM1
SCHEMBL29525978 0.82 MAPT (0.53) KAT2BMAPTLMNAPKMVCAM1
SCHEMBL20571599 0.82 LMNA (0.63) KAT2BMAPTLMNAPKMVCAM1
SCHEMBL29737974 0.82 LMNA (0.63) KAT2BMAPTLMNAPKMVCAM1
SCHEMBL19553526 0.82 KAT2B (0.52) KAT2BMAPTLMNAPKMVCAM1
SCHEMBL20571819 0.81 KAT2B (0.51) KAT2BMAPTLMNAPKMVCAM1
SCHEMBL4243967 0.81 KAT2B (0.51) KAT2BMAPTLMNAPKMVCAM1
SCHEMBL20337732 0.80 KAT2B (0.49) KAT2BMAPTLMNAPKMVCAM1

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 KAT2B 2335/4885MAPT 1769/4885LMNA 1240/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA KAT2B 2877/4885MAPT 2228/4885LMNA 4788/4885

“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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