SCHEMBL2983553

SCHEMBL2983553

COc1ccccc1C1=C(c2cn(CCCN)c3ncccc23)C(=O)NC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 1.00
PRKCB P05771 13/20 1.00
PRKCG P05129 6/20 0.77
PRKCA P17252 5/20 0.74
CCNB2 O95067 2/20 0.69
CDK1 P06493 2/20 0.69
CCNB1 P14635 2/20 0.69
CCNA2 P20248 2/20 0.69
CDK2 P24941 2/20 0.69
RPS6KA3 P51812 2/20 0.69
CCNA1 P78396 2/20 0.69
CCNB3 Q8WWL7 2/20 0.69
PDPK1 O15530 1/20 0.69
LYN P07948 1/20 0.69
KDR P35968 1/20 0.57
QPCT Q16769 1/20 0.57
CAMK2D Q13557 2/20 0.56
PIM1 P11309 1/20 0.56

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
SCHEMBL2982584 0.90 GSK3B (1.00) GSK3BPRKCBPRKCGPRKCACCNB2
SCHEMBL2987297 0.87 GSK3B (1.00) GSK3BPRKCBPRKCGPRKCACCNB2
SCHEMBL2979275 0.86 GSK3B (1.00) GSK3BPRKCBPRKCGPRKCACCNB2
SCHEMBL13204339 0.85 GSK3B (1.00) GSK3BPRKCBPRKCGPRKCACCNB2
SCHEMBL2974578 0.85 GSK3B (0.80) GSK3BPRKCBPRKCGPRKCACCNB2
SCHEMBL4762233 0.85 GSK3B (0.86) GSK3BPRKCBPRKCGPRKCACCNB2
SCHEMBL4346198 0.85 GSK3B (0.73) GSK3BPRKCBPRKCGPRKCACCNB2
SCHEMBL4337284 0.85 GSK3B (0.73) GSK3BPRKCBPRKCGPRKCACCNB2
SCHEMBL13204222 0.82 GSK3B (1.00) GSK3BPRKCBPRKCGPRKCACCNB2
SCHEMBL2982963 0.81 GSK3B (0.78) GSK3BPRKCBPRKCGPRKCACCNB2

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 33 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
US-9845460-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2017-12-19 US disclosed
US-20140080210-A1 Treatment of Pluripotent Cells JANSSEN BIOTECH, INC. (US) 2014-03-20 US disclosed
US-8623648-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2014-01-07 US 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-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-7524858-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 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-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
US-20040006095-A1 Substituted pyrroline kinase inhibitors JANSSEN PHARMAECUTICA, NV (BE) 2004-01-08 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 (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-20180127723-A1 TREATMENT OF PLURIPOTENT CELLS GSK3B, GSK3A, GSKIP GSK3B 1/4885PRKCB 61/4885PRKCG 104/4885
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.