SCHEMBL4075130

SCHEMBL4075130

COC(=O)/C=C/c1ccncc1NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CYP17A1 P05093 3/20 0.40
ATR Q13535 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4066041 0.90 CCNC (0.44) CCNCCDK8NAMPTKDM4EALDH1A1
SCHEMBL3537539 0.89 NAMPT (0.42) CCNCCDK8NAMPTCYP17A1ATR
SCHEMBL3537542 0.89 NAMPT (0.42) CCNCCDK8NAMPTCYP17A1ATR
SCHEMBL1020140 0.83 CYP17A1 (0.47) NAMPTCYP17A1ATRRAB9AMETAP1
SCHEMBL29957148 0.83 CYP17A1 (0.47) NAMPTCYP17A1ATRRAB9AMETAP1
SCHEMBL4725743 0.80 NAMPT (0.43) NAMPTCYP17A1ATRRAB9AMETAP1
SCHEMBL3543797 0.79 NAMPT (0.42) CCNCCDK8NAMPTHTTCYP17A1
SCHEMBL14291975 0.79 CYP17A1 (0.42) NAMPTCYP17A1ATRRAB9AMETAP1
SCHEMBL3543792 0.79 NAMPT (0.42) CCNCCDK8NAMPTHTTCYP17A1
SCHEMBL8343027 0.78 ALDH1A1 (0.36) CCNCCDK8KDM4EALDH1A1ATR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198282-B2 Substituted azaquinazolines having an antiviral action AICURIS GMBH & CO. KG (DE) 2012-06-12 US disclosed
US-8198282-B2 Substituted azaquinazolines having an antiviral action AICURIS GMBH & CO. KG (DE) 2012-06-12 US disclosed
US-20100179174-A1 SUBSTITUTED AZAQUINAZOLINES HAVING AN ANTIVIRAL ACTION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 US disclosed
US-20100179174-A1 SUBSTITUTED AZAQUINAZOLINES HAVING AN ANTIVIRAL ACTION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 US disclosed
US-7662822-B2 Substituted azaquinazolines having an antiviral action BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-16 US disclosed
US-7662822-B2 Substituted azaquinazolines having an antiviral action BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-16 US disclosed
EP-1751155-B1 SUBSTITUTED AZACHINAZOLINES HAVING AN ANTIVIRAL ACTION BAYER HEALTHCARE AG (DE) 2009-01-07 EP disclosed
EP-1751155-B1 SUBSTITUTED AZACHINAZOLINES HAVING AN ANTIVIRAL ACTION BAYER HEALTHCARE AG (DE) 2009-01-07 EP disclosed
US-20080132515-A1 antiviral agents, in particular against cytomegaloviruses; {2-[4-(4-Fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[3,4-d]-pyrimidin-4-yl}acetic acid hydrochloride BAYER HEALTHCARE AG (DE) 2008-06-05 US disclosed
US-20080132515-A1 antiviral agents, in particular against cytomegaloviruses; {2-[4-(4-Fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[3,4-d]-pyrimidin-4-yl}acetic acid hydrochloride BAYER HEALTHCARE AG (DE) 2008-06-05 US disclosed
EP-1751155-A1 SUBSTITUTED AZACHINAZOLINES HAVING AN ANTIVIRAL ACTION Bayer HealthCare AG (DE) 2007-02-14 EP disclosed
WO-2005113552-A1 SUBSTITUTED AZACHINAZOLINES HAVING AN ANTIVIRAL ACTION BAYER HEALTHCARE AG (DE) 2005-12-01 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-20080132515-A1 antiviral agents, in particular against cytomegaloviruses; {2-[4-(4-Fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[3,4-d]-pyrimidin-4-yl}acetic acid hydrochloride ZC3HAV1, EIF2AK2, IRF3 CCNC 190/4885CDK8 155/4885NAMPT 1559/4885
US-20100179174-A1 SUBSTITUTED AZAQUINAZOLINES HAVING AN ANTIVIRAL ACTION EIF2AK2, TPMT, IRF3 CCNC 348/4885CDK8 32/4885NAMPT 445/4885

“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.