SCHEMBL1127704

SCHEMBL1127704

Cn1cc(C2=C(c3nn(CCCn4ccnc4)c4ccccc34)C(=O)NC2=O)c2cc(Cl)ccc21

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 14/20 0.70
GSK3B P49841 7/20 0.70
QPCT Q16769 2/20 0.53

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
SCHEMBL19733068 0.86 IDH1 (0.59) IDH1GSK3BQPCT
SCHEMBL1128498 0.86 GSK3B (0.52) IDH1GSK3B
SCHEMBL3781580 0.86 GSK3B (0.66) GSK3B
SCHEMBL5754334 0.84 GSK3B (0.67) IDH1GSK3B
SCHEMBL5757844 0.84 GSK3B (0.67) GSK3B
SCHEMBL5752565 0.84 GSK3B (0.54) IDH1GSK3B
SCHEMBL4689265 0.84 GSK3B (0.50) IDH1GSK3B
SCHEMBL5754325 0.84 GSK3B (0.69) IDH1GSK3B
SCHEMBL5759256 0.82 GSK3B (0.69) GSK3B
SCHEMBL4691089 0.82 GSK3B (0.50) IDH1GSK3B

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 32 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-9845460-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2017-12-19 US disclosed
US-7439363-B2 Substituted indazoly(indoly)maleimide derivatives as kinase inhibitors JANSSEN PARMACEUTICA N.V. (BE) 2008-10-21 US disclosed
US-7439363-B2 Substituted indazoly(indoly)maleimide derivatives as kinase inhibitors JANSSEN PARMACEUTICA N.V. (BE) 2008-10-21 US disclosed
US-7439363-B2 Substituted indazoly(indoly)maleimide derivatives as kinase inhibitors JANSSEN PARMACEUTICA N.V. (BE) 2008-10-21 US disclosed
EP-1654255-B1 SUBSTITUTED INDAZOLYL(INDOLYL)MALEIMIDE DERIVATIVES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-27 EP disclosed
WO-2005000836-A1 SUBSTITUTED INDAZOLYL(INDOLYL)MALEIMIDE DERIVATIVES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 WO disclosed
US-20050004201-A1 Substituted indazolyl(indolyl)maleimide derivatives as kinase inhibitors JANSSEN PHARMACEUTICA (BE) 2005-01-06 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 (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-20050004201-A1 Substituted indazolyl(indolyl)maleimide derivatives as kinase inhibitors MAP2K2, MAP2K6, MAP3K2 IDH1 717/4885GSK3B 507/4885QPCT 3610/4885
US-20180127723-A1 TREATMENT OF PLURIPOTENT CELLS GSK3B, GSK3A, GSKIP IDH1 830/4885GSK3B 1/4885QPCT 725/4885

“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.