SCHEMBL3537542

SCHEMBL3537542

CC(C)(C)OC(=O)Nc1cnccc1C=CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.42
CYP17A1 P05093 4/20 0.41
RAB9A P51151 1/20 0.41
CCNC P24863 6/20 0.40
CDK8 P49336 6/20 0.40
ATR Q13535 1/20 0.38
METAP1 P53582 1/20 0.37
BRD9 Q9H8M2 1/20 0.35
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE1C Q14123 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL3537539 1.00 NAMPT (0.42) NAMPTCYP17A1RAB9ACCNCCDK8
SCHEMBL3543792 0.90 NAMPT (0.42) NAMPTCYP17A1RAB9ACCNCCDK8
SCHEMBL3543797 0.90 NAMPT (0.42) NAMPTCYP17A1RAB9ACCNCCDK8
SCHEMBL4075130 0.89 CCNC (0.46) NAMPTCYP17A1RAB9ACCNCCDK8
SCHEMBL29957148 0.84 CYP17A1 (0.47) NAMPTCYP17A1RAB9AATRMETAP1
SCHEMBL1020140 0.84 CYP17A1 (0.47) NAMPTCYP17A1RAB9AATRMETAP1
SCHEMBL16816111 0.81 CA1 (0.45) METAP1BRD9
SCHEMBL8953420 0.81 CA1 (0.45) METAP1BRD9
SCHEMBL4725743 0.81 NAMPT (0.43) NAMPTCYP17A1RAB9AATRMETAP1
SCHEMBL14291975 0.80 CYP17A1 (0.42) NAMPTCYP17A1RAB9AATRMETAP1

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 4 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-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-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

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 NAMPT 1559/4885CYP17A1 4692/4885RAB9A 1869/4885
US-20100179174-A1 SUBSTITUTED AZAQUINAZOLINES HAVING AN ANTIVIRAL ACTION EIF2AK2, TPMT, IRF3 NAMPT 445/4885CYP17A1 4482/4885RAB9A 1434/4885

“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.