SCHEMBL8138152

SCHEMBL8138152

N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cn3nc(CNC4CC4)cc23)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 1.00
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3A P49840 1/20 0.44
LIMK1 P53667 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
SLK Q9H2G2 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44
IDH1 O75874 1/20 0.36
CCR6 P51684 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.34
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PTH1R Q03431 1/20 0.33

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
SCHEMBL1514153 0.88 GSK3B (0.79) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL8135058 0.85 GSK3B (0.74) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL8138662 0.85 GSK3B (0.76) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL1514145 0.85 GSK3B (0.78) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL8135071 0.84 GSK3B (0.73) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL12836363 0.84 GSK3B (0.72) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL12835855 0.84 GSK3B (0.74) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL12835842 0.84 GSK3B (0.72) GSK3BCCNB2CDK1CCNB1RPS6KB1
SCHEMBL14313552 0.84 GSK3B (0.72) GSK3BCCNB2CDK1CCNB1RPS6KB1
Hydrochloric Acid SCHEMBL1514127 0.83 GSK3B (0.71) GSK3BCCNB2CDK1CCNB1RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434731-B2 Imidazo-, pyrazolopyrazines and imidazotriazines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-06 US disclosed
US-20130261115-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-10-03 US disclosed
US-8476267-B2 Imidazo-, pyrazolopyrazines and imidazotriazines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
EP-2176264-B1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES FOR TREATING HEMATOLOGICAL DISORDERS BAYER IP GMBH (DE) 2012-12-19 EP disclosed
US-20110053929-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-03 US disclosed
WO-2009007029-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 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-20110053929-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE THPO, TPMT, IKZF3 GSK3B 4433/4885CCNB2 1230/4885CDK1 1536/4885
US-20130261115-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE THPO, TPMT, IKZF3 GSK3B 4433/4885CCNB2 1230/4885CDK1 1536/4885

“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.