SCHEMBL2985115

SCHEMBL2985115

CN(C)CCCn1nc(C2=C(c3cn(-c4ccc5ccccc5c4)c4ncccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.82
PRKCG P05129 14/20 0.82
PRKCB P05771 14/20 0.82
PRKCA P17252 14/20 0.82
KCNH2 Q12809 7/20 0.82
PRKCD Q05655 6/20 0.82
PRKCZ Q05513 3/20 0.82
IDH1 O75874 1/20 0.49

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
SCHEMBL3774124 0.90 PRKCA (1.00) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL4343044 0.90 GSK3B (0.66) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL13204205 0.89 GSK3B (0.65) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5759641 0.88 PRKCA (0.95) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5803991 0.88 GSK3B (0.83) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5758194 0.86 GSK3B (0.88) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL4337219 0.86 GSK3B (0.60) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5758391 0.85 GSK3B (0.90) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5790814 0.84 PRKCA (0.86) GSK3BPRKCGPRKCBPRKCAKCNH2
SCHEMBL5757630 0.82 GSK3B (0.84) GSK3BPRKCGPRKCBPRKCAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127723-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. (US) 2018-05-10 US disclosed
EP-2664669-B1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH INC (US) 2017-12-27 EP disclosed
EP-2664669-A1 Treatment of pluripotent cells Janssen Biotech, Inc. (US) 2013-11-20 EP 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-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-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 (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-20060205762-A1 Substituted pyrroline kinase inhibitors PRKDC, PRKACA, MAP3K20 GSK3B 1267/4885PRKCG 66/4885PRKCB 22/4885
US-20040006095-A1 Substituted pyrroline kinase inhibitors PRKDC, PRKACA, MAP3K20 GSK3B 1267/4885PRKCG 66/4885PRKCB 22/4885
US-20090181982-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS PRKDC, PRKACA, MAP3K20 GSK3B 1267/4885PRKCG 66/4885PRKCB 22/4885
US-20180127723-A1 TREATMENT OF PLURIPOTENT CELLS GSK3B, GSK3A, GSKIP GSK3B 1/4885PRKCG 104/4885PRKCB 61/4885
US-20060205763-A1 Substituted pyrroline kinase inhibitors PRKDC, PRKACA, MAP3K20 GSK3B 1267/4885PRKCG 66/4885PRKCB 22/4885

“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.