SCHEMBL8003442

SCHEMBL8003442

CCC(=O)c1ccc(NC2CCCN(c3nc(-c4ccc(Cl)cc4Cl)cc4nc(C5CCN(C(C)C)CC5)nn34)C2)nc1N

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.37
DPP4 P27487 2/20 0.34
CRHR1 P34998 1/20 0.33
F10 P00742 3/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 2/20 0.32
BTK Q06187 2/20 0.32
EGFR P00533 1/20 0.32
LCK P06239 1/20 0.32
JAK3 P52333 1/20 0.32
F2 P00734 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PROKR1 Q8TCW9 1/20 0.30
CCR4 P51679 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
SCHEMBL1962806 0.92 GSK3B (0.38) GSK3BDPP4CRHR1CNR1CNR2
SCHEMBL1962175 0.91 GSK3B (0.35) GSK3BDPP4F10CNR1CNR2
SCHEMBL1960445 0.89 ACKR3 (0.36) BTKEGFRLCKJAK3KDM4E
SCHEMBL1120117 0.86 MAPK14 (0.32) GSK3BBTKEGFRLCKJAK3
SCHEMBL1963687 0.84 DPP4 (0.36) GSK3BDPP4CRHR1F10CNR1
SCHEMBL1119616 0.81 GSK3B (0.38) GSK3BDPP4F10CNR1BTK
SCHEMBL16456992 0.81 WNT1 (0.31) BTKEGFRLCKJAK3
SCHEMBL1962713 0.81 BMPR1B (0.34) DPP4BTKEGFRLCKJAK3
SCHEMBL1962515 0.80 DPP4 (0.34) GSK3BDPP4
SCHEMBL1119579 0.78 BMPR1B (0.32) DPP4BTKEGFRLCKJAK3

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-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
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 3829/4885DPP4 306/4885CRHR1 4282/4885
US-20110144131-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES THPO, IKZF3, TPMT GSK3B 3829/4885DPP4 306/4885CRHR1 4282/4885

“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.