SCHEMBL1960102

SCHEMBL1960102

Nc1nc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nc(C4CCN(CC(=O)O)CC4)nn23)ccc1C(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.33
GSK3A P49840 2/20 0.33
CHRM4 P08173 1/20 0.33
DPP4 P27487 2/20 0.31
CDK1 P06493 1/20 0.30
CNR1 P21554 1/20 0.30
SLC6A12 P48065 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL16474803 0.94 CHRM4 (0.32) GSK3BGSK3ACHRM4
SCHEMBL1119969 0.92 GSK3B (0.33) GSK3BGSK3ACHRM4CDK1
SCHEMBL1960159 0.91 GSK3B (0.39) GSK3BGSK3ACHRM4DPP4CDK1
SCHEMBL7993037 0.91 CCR4 (0.34) GSK3BGSK3ACHRM4CNR1
SCHEMBL1120237 0.90 GSK3B (0.34) GSK3BGSK3ACDK1
SCHEMBL1119573 0.90 DPP4 (0.36) GSK3BGSK3ADPP4CDK1DPP7
SCHEMBL1964817 0.88 GSK3B (0.33) GSK3BGSK3ACHRM4DPP4DPP7
SCHEMBL12579653 0.85 GSK3B (0.38) GSK3BCHRM4DPP4CNR1EGLN1
SCHEMBL1119497 0.84 MAPK14 (0.34) DPP4
SCHEMBL12680892 0.83 GSK3B (0.36) GSK3BGSK3ADPP4CDK1CNR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280976-B1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AS GSK3BETA-INHIBITORS BAYER IP GMBH (DE) 2014-01-01 EP disclosed
US-20130296343-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-07 US disclosed
US-20130296343-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-07 US disclosed
US-8436003-B2 Substituted imidazo- and triazolopyrimidines, imidazo- and pyrazolopyrazines and imidazotriazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-07 US disclosed
US-20110144131-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES BAYER SCHERING PHARMA AKTIENGESELLESCHAFT (DE) 2011-06-16 US disclosed
US-20110144131-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES BAYER SCHERING PHARMA AKTIENGESELLESCHAFT (DE) 2011-06-16 US disclosed
WO-2009138176-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AS GSK3BETA-INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-19 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-20130296343-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES THPO, IKZF3, TPMT GSK3B 3829/4885GSK3A 3600/4885CHRM4 3840/4885
US-20110144131-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES THPO, IKZF3, TPMT GSK3B 3829/4885GSK3A 3600/4885CHRM4 3840/4885

“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.