SCHEMBL1120230

SCHEMBL1120230

CC(C)(C)OC(=O)N1CCCC(Nc2ccc(C#N)cn2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
HSD11B1 P28845 2/20 0.52
HSD11B2 P80365 1/20 0.52
CCR6 P51684 4/20 0.50
DPP4 P27487 3/20 0.49
GPR119 Q8TDV5 2/20 0.49
CCNK O75909 2/20 0.49
CDK12 Q9NYV4 2/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
EGLN2 Q96KS0 1/20 0.49
PIK3CD O00329 1/20 0.47
USP30 Q70CQ3 1/20 0.46
DPP7 Q9UHL4 1/20 0.46

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
SCHEMBL1036416 0.94 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL1036415 0.94 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL23292365 0.94 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL21521679 0.89 GPR119 (0.49) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL31465059 0.89 GPR119 (0.49) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL31006833 0.88 CCNK (0.47) GPR119CCNKCDK12IRAK4EGLN2
SCHEMBL1938685 0.87 GPR119 (0.60) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL29136118 0.85 ALDH1A1 (0.53) DPP4GPR119IRAK4USP30
SCHEMBL18937698 0.85 USP30 (0.49) PIK3CDUSP30
SCHEMBL1030155 0.84 FPR2 (0.53) PIK3CDUSP30

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 49 patents — showing the first 20. 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-9434731-B2 Imidazo-, pyrazolopyrazines and imidazotriazines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-06 US disclosed
EP-2326639-B1 SUBSTITUTED PYRIDINES AND ITS USE AS GSK3 INHIBITORS BAYER IP GMBH (DE) 2015-08-19 EP disclosed
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-8664246-B2 Substituted pyridines, and use thereof as GSK3 inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-04 US disclosed
US-8664246-B2 Substituted pyridines, and use thereof as GSK3 inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-04 US 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
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
US-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2009-10-15 US disclosed
US-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2009-10-15 US disclosed
US-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2009-10-15 US disclosed
WO-2009074259-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO disclosed
WO-2009074259-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO disclosed
WO-2009007029-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2009007029-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 WO disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 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-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE THPO, IL5, TPMT CYP3A4 123/4885CYP2D6 280/4885CYP2C9 627/4885
US-20130296343-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES THPO, IKZF3, TPMT CYP3A4 138/4885CYP2D6 593/4885CYP2C9 778/4885

“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.