SCHEMBL12835876

SCHEMBL12835876

N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cn3nc(CN4CCOCC4)cc23)nc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.53
MAP3K8 P41279 4/20 0.34
AR P10275 1/20 0.34
SLC2A2 P11168 2/20 0.33
MOK Q9UQ07 1/20 0.33
MAPK13 O15264 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
SRC P12931 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
MAPK12 P53778 1/20 0.33
PRKCE Q02156 1/20 0.33
MAP2K1 Q02750 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 1/20 0.33
PRKD1 Q15139 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
SCHEMBL12835842 0.86 GSK3B (0.72) GSK3BMAP3K8MAPK13PRKD3PRKCG
Hydrochloric Acid SCHEMBL1514127 0.85 GSK3B (0.71) GSK3BMAP3K8MAPK13PRKD3PRKCG
SCHEMBL8143251 0.84 GSK3B (0.45) GSK3BSLC2A2ALDH1A1CYP2A13GSK3A
Trifluoroacetic Acid SCHEMBL1514015 0.82 GSK3B (0.45) GSK3BSLC2A2ALDH1A1GSK3A
SCHEMBL8144904 0.81 GSK3B (0.55) GSK3BARSLC2A2MOKALDH1A1
SCHEMBL15080867 0.81 GSK3B (0.52) GSK3BALDH1A1GSK3A
SCHEMBL8142279 0.80 GSK3B (0.52) GSK3BGSK3A
SCHEMBL8135071 0.78 GSK3B (0.73) GSK3BGSK3A
SCHEMBL12680872 0.78 MAP3K8 (0.35) GSK3BMAP3K8ARSLC2A2MOK
SCHEMBL12835855 0.77 GSK3B (0.74) GSK3BMAP3K8SRCGSK3A

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 4 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
US-20110053929-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-03 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-20110053929-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE THPO, TPMT, IKZF3 GSK3B 4433/4885MAP3K8 563/4885AR 4025/4885
US-20130261115-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE THPO, TPMT, IKZF3 GSK3B 4433/4885MAP3K8 563/4885AR 4025/4885

“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.