SCHEMBL12835581

SCHEMBL12835581

CCOC(=O)c1cc2c(NCCNc3ccc(C(=O)C(F)(F)F)c(N)n3)nc(-c3ccc(Cl)cc3Cl)cn2n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.51
GABRA2 P47869 9/20 0.37
GABRB2 P47870 9/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
ADORA2A P29274 1/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8138003 0.91 GSK3B (0.54) GSK3BGABRA2GABRB2DPP4DPP8
SCHEMBL8143251 0.80 GSK3B (0.45) GSK3BMAPT
SCHEMBL2935927 0.79 GSK3B (0.45) GSK3BHPGD
SCHEMBL1514107 0.79 GSK3B (0.81) GSK3BGABRA2GABRB2DPP4DPP8
Trifluoroacetic Acid SCHEMBL1514015 0.78 GSK3B (0.45) GSK3BDPP4MAPT
SCHEMBL12680888 0.78 ADORA2A (0.40) GSK3BGABRA2GABRB2DPP4DPP8
SCHEMBL1514100 0.78 GSK3B (0.75) GSK3BGABRA2GABRB2DPP4DPP8
SCHEMBL1513972 0.74 GSK3B (0.52) GSK3BGABRA2GABRB2DPP4DPP8
SCHEMBL12835580 0.73 GSK3B (0.71) GSK3BDPP4
SCHEMBL8039872 0.73 GSK3B (0.39) GSK3B

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 5 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

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 4433/4885GABRA2 1064/4885GABRB2 2451/4885
US-20130261115-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE THPO, TPMT, IKZF3 GSK3B 4433/4885GABRA2 1064/4885GABRB2 2451/4885

“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.