SCHEMBL5380322

SCHEMBL5380322

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.58
ADORA2A P29274 1/20 0.56
MAPT P10636 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ABCG2 Q9UNQ0 3/20 0.51
NPC1 O15118 3/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MITF O75030 1/20 0.51
PAX8 Q06710 1/20 0.51
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
BUB1 O43683 1/20 0.48
ABCB1 P08183 2/20 0.48
GSK3B P49841 3/20 0.48
GSK3A P49840 2/20 0.47

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
SCHEMBL5383599 0.82 ADORA2A (0.62) ADORA2AMAPTKMT2ARAB9AMAPK1
SCHEMBL5400018 0.82 NCOA1 (0.63) ADORA2AMEN1KMT2ANPC1HTT
SCHEMBL3830998 0.81 MEN1 (0.54) PDE4BMAPTMEN1KMT2AABCG2
SCHEMBL14514019 0.81 GSK3B (0.59) ADORA2AMAPTNPC1HTTMAPK1
SCHEMBL3825028 0.81 XDH (0.51) ADORA2AMAPTABCG2MAPK1KDM4E
SCHEMBL14514001 0.80 ADORA2A (0.54) PDE4BADORA2AMAPTMEN1KMT2A
SCHEMBL3832032 0.78 ROCK2 (0.48) ADORA2AMAPK1GSK3BGSK3ACDK5
SCHEMBL5391583 0.78 GSK3B (0.67) NPC1RAB9AGSK3BCDC7
SCHEMBL3831637 0.78 MAPT (0.61) ADORA2AMAPTMEN1KMT2ANPC1
SCHEMBL5380286 0.75 GSK3B (0.54) ADORA2AMAPTHTTMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US claimed
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
US-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HASEGAWA MASAICHI 2007-05-24 US disclosed
EP-1115721-B1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-12-10 EP disclosed
EP-1115721-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP disclosed
WO-2000018758-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-04-06 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 PDE4B 1705/4885ADORA2A 3908/4885MAPT 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.