SCHEMBL1127716

SCHEMBL1127716

COc1ccccc1C1=C(c2cn(-c3cccnc3)c3ccccc23)C(=O)NC1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.64
PRKCB P05771 6/20 0.64
PRKCA P17252 6/20 0.64
PRKCG P05129 3/20 0.57
PRKCZ Q05513 1/20 0.57
PRKCD Q05655 1/20 0.57
KCNH2 Q12809 1/20 0.57
QPCT Q16769 3/20 0.56
KDR P35968 1/20 0.47
CDK2 P24941 2/20 0.47
CCNT1 O60563 1/20 0.47
PIM1 P11309 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK9 P50750 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
CCNE2 O96020 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46

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
SCHEMBL2955240 0.90 GSK3B (0.57) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL6069262 0.84 GSK3B (0.71) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL13670446 0.84 GSK3B (0.65) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL4682932 0.84 GSK3B (0.67) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL1127703 0.81 GSK3B (0.44) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL3774109 0.81 GSK3B (0.66) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL4740834 0.80 GSK3B (0.65) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL4677124 0.79 GSK3B (0.64) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL19751906 0.78 GSK3B (0.55) GSK3BPRKCBPRKCAPRKCGPRKCZ
SCHEMBL1127978 0.78 GSK3B (0.63) GSK3BPRKCBPRKCAPRKCGPRKCZ

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 43 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 claimed
EP-2664669-B1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH INC (US) 2017-12-27 EP claimed
US-20140080210-A1 Treatment of Pluripotent Cells JANSSEN BIOTECH, INC. (US) 2014-03-20 US claimed
US-20130337564-A1 Treatment of Pluripotent Cells JANSSEN BIOTECH, INC. 2013-12-19 US claimed
EP-2664669-A1 Treatment of pluripotent cells Janssen Biotech, Inc. (US) 2013-11-20 EP claimed
EP-2283114-A2 TREATMENT OF PLURIPOTENT CELLS Centocor Ortho Biotech Inc. (US) 2011-02-16 EP claimed
US-20090325293-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. 2009-12-31 US claimed
WO-2009132068-A2 TREATMENT OF PLURIPOTENT CELLS CENTOCOR ORTHO BIOTECH INC. (US) 2009-10-29 WO claimed
US-20180127723-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. (US) 2018-05-10 US disclosed
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-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-7232906-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BG) 2007-06-19 US disclosed
US-7232906-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BG) 2007-06-19 US disclosed
US-7232906-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BG) 2007-06-19 US disclosed
EP-1513520-A2 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-16 EP disclosed
US-20040054180-A1 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2004-03-18 US disclosed
WO-2003103663-A2 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-18 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 (2 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-20040054180-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK GSK3B 880/4885PRKCB 55/4885PRKCA 59/4885
US-20180127723-A1 TREATMENT OF PLURIPOTENT CELLS GSK3B, GSK3A, GSKIP GSK3B 1/4885PRKCB 61/4885PRKCA 93/4885

“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.