SCHEMBL3850720

SCHEMBL3850720

NS(=O)(=O)c1cccc(Nc2nc(-c3ccc4c(c3)OCO4)cc(=O)[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.55
CA2 P00918 6/20 0.55
CA9 Q16790 6/20 0.55
CA1 P00915 5/20 0.55
CDK2 P24941 1/20 0.45
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ADORA2A P29274 2/20 0.44
EPHB4 P54760 1/20 0.43
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
KIF11 P52732 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40

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
SCHEMBL14514001 0.81 ADORA2A (0.54) ALDH1A1ADORA2APKMKMT2AL3MBTL1
SCHEMBL3832032 0.80 ROCK2 (0.48) CA12CA2CA9CA1CDK2
SCHEMBL14513998 0.75 CDC7 (0.53) CDK2ALDH1A1ADORA2APKMKMT2A
SCHEMBL14514002 0.72 ADORA2A (0.55) P2RX4ALDH1A1ADORA2AKMT2AL3MBTL1
SCHEMBL3254956 0.70 CLK4 (0.52) CA12CA2CA9CA1CDK2
SCHEMBL5632430 0.70 KDM4E (0.47) CA12CA2CA9CA1ALDH1A1
SCHEMBL14513942 0.70 KDM4E (0.47) CA12CA2CA9CA1ALDH1A1
SCHEMBL14514018 0.68 CA1 (0.54) CA12CA2CA9CA1CDK2
SCHEMBL14513995 0.67 KDM4E (0.61) ALDH1A1KMT2ADYRK1ACLK4
SCHEMBL14372364 0.66 P2RX4 (0.80) P2RX4P2RX7ALDH1A1PKMKMT2A

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
EP-1713793-A4 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-09-02 EP 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
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
US-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HASEGAWA MASAICHI 2007-05-24 US 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 CA12 4885/4885CA2 4823/4885CA9 4878/4885

“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.