SCHEMBL2985168

SCHEMBL2985168

COc1ncc(C2=C(c3cn(CCOc4ccc(F)cc4)c4ncccc34)C(=O)NC2=O)c(OC)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.51
PRKCB P05771 14/20 0.51
PRKCG P05129 6/20 0.51
PRKCA P17252 6/20 0.49
CCNA2 P20248 3/20 0.49
CDK2 P24941 3/20 0.49
CCNB2 O95067 2/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
RPS6KA3 P51812 2/20 0.49
CCNA1 P78396 2/20 0.49
CCNB3 Q8WWL7 2/20 0.49
PDPK1 O15530 1/20 0.46
LYN P07948 1/20 0.46
CCNT1 O60563 1/20 0.41
PIM1 P11309 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41

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
SCHEMBL13211425 0.92 GSK3B (0.41) GSK3BPRKCBPRKCGPRKCACCNA2
SCHEMBL2974611 0.89 GSK3B (0.63) GSK3BPRKCBPRKCGPRKCACCNA2
SCHEMBL2982826 0.88 GSK3B (0.59) GSK3BPRKCBPRKCGPRKCACCNA2
SCHEMBL4341571 0.84 GSK3B (0.70) GSK3BPRKCBPRKCGPRKCACCNA2
SCHEMBL1127972 0.83 GSK3B (0.54) GSK3BPRKCBPRKCGPRKCACCNA2
SCHEMBL1127715 0.82 GSK3B (0.55) GSK3BPRKCBPRKCGPRKCACCNA2
SCHEMBL2974640 0.82 GSK3B (0.57) GSK3BPRKCBPRKCGPRKCACCNA2
SCHEMBL13204261 0.82 GSK3B (0.55) GSK3BPRKCBPRKCGPRKCACCNA2
SCHEMBL2978724 0.81 GSK3B (0.51) GSK3BPRKCBPRKCGPRKCACCNA2
SCHEMBL13204338 0.79 GSK3B (0.44) GSK3BPRKCBPRKCGPRKCACCNA2

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 28 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
EP-1900738-A2 Substituted pyrroline kinase inhibitors Janssen Pharmaceutica, N.V. (BE) 2008-03-19 EP 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-20060205762-A1 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-14 US disclosed
US-20060205763-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 22/4885PRKCG 66/4885
US-20040006095-A1 Substituted pyrroline kinase inhibitors PRKDC, PRKACA, MAP3K20 GSK3B 1267/4885PRKCB 22/4885PRKCG 66/4885
US-20090181982-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS PRKDC, PRKACA, MAP3K20 GSK3B 1267/4885PRKCB 22/4885PRKCG 66/4885
US-20060205763-A1 Substituted pyrroline kinase inhibitors PRKDC, PRKACA, MAP3K20 GSK3B 1267/4885PRKCB 22/4885PRKCG 66/4885

“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.