SCHEMBL1120117

SCHEMBL1120117

CC(C)N1CCC(c2nc3cc(-c4ccc(F)cc4Cl)nc(N4CCCC(Nc5ccc(C(=O)C(F)(F)F)c(N)n5)C4)n3n2)CC1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.32
MAP3K12 Q12852 1/20 0.32
EGFR P00533 1/20 0.31
LCK P06239 1/20 0.31
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.31
MAPK13 O15264 2/20 0.31
MAPK12 P53778 2/20 0.31
MAPK11 Q15759 2/20 0.31
IL1B P01584 1/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
GSK3B P49841 2/20 0.30
SCN10A Q9Y5Y9 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
SCHEMBL1962175 0.94 GSK3B (0.35) EGFRLCKJAK3BTKIL1B
SCHEMBL1962713 0.94 BMPR1B (0.34) EGFRLCKJAK3BTKIL1B
SCHEMBL16456992 0.90 WNT1 (0.31) EGFRLCKJAK3BTKIL1B
SCHEMBL1962515 0.87 DPP4 (0.34) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL8003442 0.86 GSK3B (0.37) EGFRLCKJAK3BTKGSK3B
SCHEMBL1960445 0.86 ACKR3 (0.36) EGFRLCKJAK3BTKBMPR1B
SCHEMBL1119497 0.84 MAPK14 (0.34) MAPK14MAPK13MAPK12MAPK11BMPR1B
SCHEMBL1119579 0.84 BMPR1B (0.32) EGFRLCKJAK3BTKBMPR1B
SCHEMBL12579257 0.83 BMPR1B (0.31) MAPK14IL1BBMPR1BBMPR1ATGFBR1
SCHEMBL1963189 0.82 BRD4 (0.34) MAPK14JAK3GSK3B

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 9 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
EP-2280976-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AS GSK3BETA-INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-02-09 EP 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
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 MAPK14 1560/4885MAP3K12 636/4885EGFR 3935/4885
US-20110144131-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES THPO, IKZF3, TPMT MAPK14 1560/4885MAP3K12 636/4885EGFR 3935/4885

“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.