SCHEMBL3832032

SCHEMBL3832032

NS(=O)(=O)c1cccc(Nc2nc(-c3ccncc3)cc(=O)[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.48
GRK2 P25098 1/20 0.48
GSK3B P49841 6/20 0.46
CDK2 P24941 4/20 0.46
CDK1 P06493 4/20 0.46
ROCK1 Q13464 2/20 0.46
CDC7 O00311 2/20 0.46
MAP4K4 O95819 2/20 0.46
PIM1 P11309 2/20 0.46
PRKACA P17612 2/20 0.46
HIPK2 Q9H2X6 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
IRAK4 Q9NWZ3 2/20 0.46
DYRK3 O43781 1/20 0.46
CSF1R P07333 1/20 0.46
MARK3 P27448 1/20 0.46
MAPK1 P28482 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46

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
SCHEMBL14514018 0.87 CA1 (0.54) ROCK2GRK2GSK3BCDK2CDK1
SCHEMBL3825878 0.82 ROCK2 (0.48) ROCK2GRK2CDK2CDK1ROCK1
SCHEMBL5383599 0.81 ADORA2A (0.62) ROCK2GSK3BCDK2CDK1ROCK1
SCHEMBL5400018 0.81 NCOA1 (0.63) ROCK2GSK3BCDK2CDK1ROCK1
SCHEMBL3850720 0.80 CA12 (0.55) CDK2CLK4CLK2DYRK1AADORA2A
SCHEMBL14514019 0.80 GSK3B (0.59) ROCK2GSK3BCDK2CDK1ROCK1
SCHEMBL5380322 0.78 PDE4B (0.58) ROCK2GSK3BCDK2CDK1ROCK1
SCHEMBL3825028 0.77 XDH (0.51) ROCK2GRK2GSK3BCDK2CDK1
SCHEMBL7524252 0.75 CDK1 (0.69) GSK3BCDK2CDK1CDK7CDK9
SCHEMBL14513942 0.73 KDM4E (0.47) MAPK1ADORA2AMTORCA12CA1

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585482-A4 NOUVELLES COMPOSITIONS ET METHODES DE TRAITEMENT DU PSORIASIS GENENTECH INC (US) 2009-09-09 EP disclosed
EP-1578371-A4 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF TUMOR GENENTECH INC (US) 2009-05-20 EP disclosed
EP-1578996-A4 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF TUMOR GENENTECH INC (US) 2007-12-19 EP disclosed
EP-1572116-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IMMUNE RELATED DISEASES GENENTECH INC (US) 2007-12-12 EP 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-1696963-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF TUMOR OF HEMATOPOIETIC ORIGIN Genentech, Inc. (US) 2006-09-06 EP disclosed
EP-1694864-A2 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF TUMOR GENENTECH, INC. (US) 2006-08-30 EP disclosed
EP-1608967-A4 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF TUMOR GENENTECH INC (US) 2006-08-09 EP disclosed
EP-1494709-A4 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF TUMOR GENENTECH INC (US) 2006-06-28 EP disclosed
EP-1114152-A2 SECRETED AND TRANSMEMBRANE POLYPEPTIDES AND NUCLEIC ACIDS ENCODING THE SAME Genentech, Inc. (US) 2001-07-11 EP disclosed
WO-2000053757-A2 PROMOTION OR INHIBITION OF ANGIOGENESIS AND CARDIOVASCULARIZATION GENENTECH, INC. (US) 2000-09-14 WO disclosed
WO-2000053752-A2 PROMOTION OR INHIBITION OF ANGIOGENESIS AND CARDIOVASCULARIZATION GENENTECH, INC. (US) 2000-09-14 WO disclosed
WO-2000053756-A2 SECRETED AND TRANSMEMBRANE POLYPEPTIDES AND NUCLEIC ACIDS ENCODING THE SAME GENENTECH, INC. (US) 2000-09-14 WO disclosed
WO-2000053754-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF TUMOR GENENTECH, INC. (US) 2000-09-14 WO disclosed
WO-2000053755-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF TUMOR GENENTECH, INC. (US) 2000-09-14 WO disclosed
WO-2000053751-A1 METHODS AND COMPOSITIONS FOR INHIBITING NEOPLASTIC CELL GROWTH GENENTECH, INC. (US) 2000-09-14 WO disclosed
WO-2000039297-A2 IL-1 RELATED POLYPEPTIDES GENENTECH, INC. (US) 2000-07-06 WO disclosed
WO-2000037638-A2 METHODS AND COMPOSITIONS FOR INHIBITING NEOPLASTIC CELL GROWTH GENENTECH, INC. (US) 2000-06-29 WO disclosed
WO-2000015796-A2 SECRETED AND TRANSMEMBRANE POLYPEPTIDES AND NUCLEIC ACIDS ENCODING THE SAME GENENTECH, INC. (US) 2000-03-23 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 ROCK2 432/4885GRK2 486/4885GSK3B 598/4885

“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.