SCHEMBL1127773

SCHEMBL1127773

COC(=O)c1cncc(-n2cc(C3=C(c4nn(CCO)c5ccccc45)C(=O)NC3=O)c3cc(Cl)ccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.51
PRKCB P05771 13/20 0.51
PRKCA P17252 13/20 0.51
PRKCG P05129 12/20 0.51
KCNH2 Q12809 7/20 0.51
PRKCD Q05655 6/20 0.51
PRKCZ Q05513 3/20 0.51
KISS1R Q969F8 1/20 0.42
IDH1 O75874 1/20 0.40

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
SCHEMBL4682941 0.82 GSK3B (0.43) GSK3BPRKCA
SCHEMBL1127953 0.82 GSK3B (0.68) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL4341598 0.81 GSK3B (0.55) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL1127687 0.79 GSK3B (0.64) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL13580749 0.78 GSK3B (0.36) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5756894 0.78 GSK3B (0.76) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL5754128 0.77 PRKCA (0.85) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL3781580 0.76 GSK3B (0.66) GSK3BPRKCBPRKCAPRKCG
SCHEMBL3771437 0.76 PRKCA (0.84) GSK3BPRKCBPRKCAPRKCGKCNH2
SCHEMBL4682934 0.75 GSK3B (0.44) GSK3BPRKCA

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 23 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
CN-102105580-A Treatment of pluripotent cells CENTOCOR ORTHO BIOTECH INC 2011-06-22 CN claimed
US-20090325293-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. 2009-12-31 US 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-9845460-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2017-12-19 US disclosed
US-8623648-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2014-01-07 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
EP-2283114-A2 TREATMENT OF PLURIPOTENT CELLS Centocor Ortho Biotech Inc. (US) 2011-02-16 EP disclosed
US-20090325293-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. 2009-12-31 US disclosed
US-20090325293-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. 2009-12-31 US disclosed
WO-2009132068-A2 TREATMENT OF PLURIPOTENT CELLS CENTOCOR ORTHO BIOTECH INC. (US) 2009-10-29 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 (1 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-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.