SCHEMBL7991074

SCHEMBL7991074

CC(C)(C)OC(=O)NCCNc1nc(N)c(C#N)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
GSK3B P49841 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
LATS1 O95835 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRD4 O60885 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSS P25774 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
SCHEMBL8043519 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1GSK3BBRD4MEN1
SCHEMBL12680401 0.79 BCHE (0.43) BCHESMN1; SMN2MALT1GSK3BADORA3
SCHEMBL6659931 0.76 GSK3B (0.46) BCHESMN1; SMN2MALT1GSK3BADORA3
SCHEMBL12680400 0.75 MAPT (0.40) BCHESMN1; SMN2ALDH1A1MALT1GSK3B
SCHEMBL1435757 0.75 PI4KB (0.46) BCHEALDH1A1MALT1LATS1STK17B
SCHEMBL7490071 0.75 CA1 (0.43) BCHEALDH1A1MALT1ADORA3ADORA2A
SCHEMBL7992832 0.74 BCHE (0.48) BCHEMALT1ADORA3ADORA2AADORA1
SCHEMBL4816033 0.72 BCHE (0.44) BCHEALDH1A1MALT1ADORA3ADORA2A
Hydrochloric Acid SCHEMBL1514013 0.70 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1GSK3BMEN1GAA
SCHEMBL1981436 0.70 BCHE (0.58) BCHESMN1; SMN2ALDH1A1MALT1ADORA1

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 16 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-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 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-20130261115-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-10-03 US disclosed
EP-2176264-B1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES FOR TREATING HEMATOLOGICAL DISORDERS BAYER IP GMBH (DE) 2012-12-19 EP disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
EP-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 BCHE 3389/4885SMN1; SMN2 3215/4885ALDH1A1 3414/4885
US-20130296343-A1 SUBSTITUTED IMIDAZO- AND TRIAZOLOPYRIMIDINES, IMIDAZO- AND PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES THPO, IKZF3, TPMT BCHE 4593/4885SMN1; SMN2 1622/4885ALDH1A1 2442/4885
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO BCHE 3755/4885SMN1; SMN2 1461/4885ALDH1A1 2118/4885
US-20130261115-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE THPO, TPMT, IKZF3 BCHE 4185/4885SMN1; SMN2 1522/4885ALDH1A1 2818/4885

“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.