SCHEMBL1963189

SCHEMBL1963189

CC(C)N1CCC(c2nc3cc(-c4ccc(F)cc4Cl)nc(N4CCCC(Nc5ccc(C#N)cn5)C4)n3n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
CCR6 P51684 7/20 0.34
JAK3 P52333 2/20 0.34
EGLN2 Q96KS0 2/20 0.34
JAK2 O60674 1/20 0.34
MAPK14 Q16539 1/20 0.33
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
DPP4 P27487 1/20 0.32
CNR2 P34972 1/20 0.32
CHEK1 O14757 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL1119545 0.93 BRD4 (0.35) BRD4CCR6JAK3EGLN2JAK2
SCHEMBL1962515 0.88 DPP4 (0.34) MAPK14GSK3BDPP4
SCHEMBL1120235 0.83 GSK3B (0.42) BRD4MAPK14GSK3BDPP4CNR2
Hydrochloric Acid SCHEMBL1963322 0.82 GSK3B (0.41) BRD4MAPK14GSK3BDPP4CNR2
SCHEMBL1120117 0.82 MAPK14 (0.32) JAK3MAPK14GSK3B
SCHEMBL1120223 0.81 DPP4 (0.34) DPP4
SCHEMBL12579257 0.78 BMPR1B (0.31) MAPK14
SCHEMBL1962175 0.76 GSK3B (0.35) JAK3GSK3BDPP4CNR2
SCHEMBL12680860 0.76 CCR6 (0.43) CCR6JAK3EGLN2JAK2GSK3B
SCHEMBL1961882 0.76 GSK3B (0.49) CCR6GSK3BDPP4

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 8 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
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
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 BRD4 438/4885CCR6 2072/4885JAK3 94/4885
US-20110144131-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES THPO, IKZF3, TPMT BRD4 438/4885CCR6 2072/4885JAK3 94/4885

“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.