SCHEMBL2979686

SCHEMBL2979686

CCCCC1=C(c2cn(CCCO)c3ncccc23)C(=O)NC1=O

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.76
PRKCB P05771 11/20 0.76
PRKCA P17252 5/20 0.66
PRKCG P05129 4/20 0.66
IDH1 O75874 1/20 0.56
CCNB2 O95067 2/20 0.56
CDK1 P06493 2/20 0.56
CCNB1 P14635 2/20 0.56
CCNA2 P20248 2/20 0.56
CDK2 P24941 2/20 0.56
CCNA1 P78396 2/20 0.56
CCNB3 Q8WWL7 2/20 0.56
RPS6KA3 P51812 1/20 0.55

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
SCHEMBL2985656 0.86 GSK3B (1.00) GSK3BPRKCBPRKCAPRKCGIDH1
SCHEMBL13231016 0.83 GSK3B (0.78) GSK3BPRKCBPRKCAPRKCGIDH1
SCHEMBL2984397 0.83 GSK3B (0.82) GSK3BPRKCBPRKCAPRKCGIDH1
SCHEMBL14257784 0.82 GSK3B (0.70) GSK3BPRKCBPRKCAPRKCGCCNB2
SCHEMBL4354893 0.81 GSK3B (1.00) GSK3BPRKCBPRKCAPRKCGIDH1
SCHEMBL14257786 0.80 GSK3B (0.67) GSK3BPRKCBPRKCAPRKCGCCNB2
SCHEMBL2984122 0.80 GSK3B (0.76) GSK3BPRKCBPRKCAPRKCGIDH1
SCHEMBL1128129 0.80 GSK3B (0.76) GSK3BPRKCBPRKCAPRKCGIDH1
SCHEMBL2974067 0.80 GSK3B (0.76) GSK3BPRKCBPRKCAPRKCGIDH1
SCHEMBL2987239 0.80 GSK3B (0.76) GSK3BPRKCBPRKCAPRKCGIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786135-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2010-08-31 US disclosed
US-7786135-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2010-08-31 US disclosed
US-7786135-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2010-08-31 US disclosed
US-7781450-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-24 US disclosed
US-7781450-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-24 US disclosed
US-7781450-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-24 US disclosed
US-7705015-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-04-27 US disclosed
US-7705015-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-04-27 US disclosed
US-7705015-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-04-27 US disclosed
US-20090181982-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS ZHANG HAN-CHENG 2009-07-16 US disclosed
US-7524858-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
EP-1900738-A2 Substituted pyrroline kinase inhibitors Janssen Pharmaceutica, N.V. (BE) 2008-03-19 EP disclosed
EP-1506192-B1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 EP disclosed
EP-1506192-B1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 EP disclosed
US-7125878-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA (BE) 2006-10-24 US disclosed
US-20060205763-A1 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-14 US disclosed
US-20060205762-A1 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-14 US disclosed
EP-1506192-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
US-20040006095-A1 Substituted pyrroline kinase inhibitors JANSSEN PHARMAECUTICA, NV (BE) 2004-01-08 US disclosed
WO-2003095452-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-20 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 (4 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-20060205762-A1 Substituted pyrroline kinase inhibitors PRKDC, PRKACA, MAP3K20 GSK3B 1267/4885PRKCB 22/4885PRKCA 30/4885
US-20040006095-A1 Substituted pyrroline kinase inhibitors PRKDC, PRKACA, MAP3K20 GSK3B 1267/4885PRKCB 22/4885PRKCA 30/4885
US-20090181982-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS PRKDC, PRKACA, MAP3K20 GSK3B 1267/4885PRKCB 22/4885PRKCA 30/4885
US-20060205763-A1 Substituted pyrroline kinase inhibitors PRKDC, PRKACA, MAP3K20 GSK3B 1267/4885PRKCB 22/4885PRKCA 30/4885

“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.