SCHEMBL3830998

SCHEMBL3830998

COc1cccc(Nc2nc(=O)cc(-c3ccncc3)[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 2/20 0.54
ABCG2 Q9UNQ0 2/20 0.51
PDE4B Q07343 2/20 0.50
BUB1 O43683 1/20 0.48
ABCB1 P08183 1/20 0.48
PDE9A O76083 2/20 0.47
CDC7 O00311 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ROCK2 O75116 1/20 0.46
GRK2 P25098 1/20 0.46
FYN P06241 1/20 0.45
GCGR P47871 1/20 0.44
MAPK14 Q16539 1/20 0.44
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3827756 0.82 PIK3C3 (0.53) MEN1KMT2ABUB1CDC7
SCHEMBL5400013 0.82 NCOA1 (0.53) MEN1KMT2ABUB1CDC7NPC1
SCHEMBL5380322 0.81 PDE4B (0.58) MEN1KMT2AMAPTABCG2PDE4B
SCHEMBL3825068 0.81 PIK3C3 (0.44) CDC7NPC1ROCK2MAPK1DYRK1A
SCHEMBL5632242 0.81 BUB1 (0.49) MEN1KMT2AMAPTABCG2BUB1
SCHEMBL3825757 0.80 MAPT (0.49) MEN1KMT2AMAPTPDE9AALDH1A1
SCHEMBL3827923 0.79 AKR1C3 (0.54) MEN1KMT2AABCG2ABCB1NPC1
SCHEMBL7996288 0.78 MTNR1A (0.46) ABCB1CDC7ROCK2
SCHEMBL3825878 0.78 ROCK2 (0.48) ABCG2ROCK2GRK2
SCHEMBL5391579 0.78 MAPK14 (0.56) CDC7NPC1RAB9AGCGRMAPK14

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713793-A4 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-09-02 EP claimed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US claimed
US-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HASEGAWA MASAICHI 2007-05-24 US claimed
EP-1713793-A2 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS Smithkline Beecham Corporation (US) 2006-10-25 EP claimed
WO-2005076854-A2 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO claimed
EP-1713793-A4 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-09-02 EP disclosed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
US-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HASEGAWA MASAICHI 2007-05-24 US disclosed
EP-1713793-A2 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS Smithkline Beecham Corporation (US) 2006-10-25 EP disclosed
WO-2005076854-A2 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HIPK3, HIPK1, HIPK2 MEN1 2931/4885KMT2A 2021/4885MAPT 2835/4885

“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.