SCHEMBL50534

SCHEMBL50534

CCc1cnc(CCNC(C)=O)o1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.48
CCNE2 O96020 2/20 0.48
CDK1 P06493 2/20 0.48
CDK4 P11802 2/20 0.48
CCNB1 P14635 2/20 0.48
CCND1 P24385 2/20 0.48
CCNE1 P24864 2/20 0.48
CDK2 P24941 2/20 0.48
CCNB3 Q8WWL7 2/20 0.48
QPCT Q16769 1/20 0.42
QPCTL Q9NXS2 1/20 0.42
MTNR1A P48039 9/20 0.41
MTNR1B P49286 8/20 0.41
KDM4E B2RXH2 1/20 0.39
F13A1 P00488 1/20 0.39
ACACB O00763 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4228993 0.88 CCNB2 (0.42) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL14396533 0.86 CCNB2 (0.41) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL13853450 0.85 CCNB2 (0.41) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL50579 0.81 CCNE2 (0.46) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL13616184 0.78 CDK2 (0.48) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL48657 0.76 L3MBTL1 (0.53) CCNE2CCNE1CDK2SMN1; SMN2
SCHEMBL12441277 0.74 CCNB2 (0.38) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL12255302 0.71 CCNB2 (0.44) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL48713 0.71 CCNB2 (0.37) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL2074090 0.71 CCNB2 (0.37) CCNB2CCNE2CDK1CDK4CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 US disclosed
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8404684-B2 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2013-03-26 US disclosed
US-8404684-B2 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2013-03-26 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG 2011-05-05 US disclosed
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG 2011-05-05 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
EP-2157091-A1 Inhibitors of phosphatidylinositol 3-kinase Novartis AG (CH) 2010-02-24 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 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 (5 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B CCNB2 826/4885CCNE2 343/4885CDK1 69/4885
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase PIK3CA, PIP4K2C, PIP4K2B CCNB2 828/4885CCNE2 945/4885CDK1 123/4885
US-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 CCNB2 168/4885CCNE2 114/4885CDK1 57/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C CCNB2 865/4885CCNE2 967/4885CDK1 126/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C CCNB2 865/4885CCNE2 967/4885CDK1 126/4885

“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.