SCHEMBL4511416

SCHEMBL4511416

CC(C)(C)OC(=O)NCc1noc(-c2ccnc(C#N)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 4/20 0.46
MYC P01106 1/20 0.37
KDM4A O75164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 2/20 0.35
AAK1 Q2M2I8 2/20 0.35
USP30 Q70CQ3 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC10 Q969S8 1/20 0.35
S1PR1 P21453 1/20 0.35
SMPD1 P17405 1/20 0.35
NR1H4 Q96RI1 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
SCHEMBL21410135 0.79 CYP1A2 (0.57) CYP1A2CYP2D6KDM4AHDAC6HDAC1
SCHEMBL2392439 0.77 L3MBTL1 (0.46) KDM4AHDAC1
SCHEMBL29714563 0.77 L3MBTL1 (0.46) KDM4AHDAC1
SCHEMBL27939051 0.77 USP30 (0.38) USP30
SCHEMBL388263 0.74 USP30 (0.45) ALDH1A1HDAC4USP30
SCHEMBL4534499 0.74 ALDH1A1 (0.43) CYP1A2CYP2D6MYCALDH1A1AAK1
Tert-Butyl Formate SCHEMBL27939053 0.73 TLR9 (0.35) ALDH1A1USP30
SCHEMBL388262 0.72 GPR119 (0.47) USP30
SCHEMBL4479053 0.72 CYP1A2 (0.54) CYP1A2CYP2D6KDM4AALDH1A1HDAC6
SCHEMBL28766879 0.72 GPR119 (0.39) ALDH1A1USP30S1PR1SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207147-B2 Heterocyclic derivatives as GPCR receptor agonists PROSIDION LIMITED (GB) 2012-06-26 US disclosed
US-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-11-12 US disclosed
CN-1898235-A Heterocyclic derivatives as gpcr receptor agonists PROSIDION LTD (GB) 2007-01-17 CN disclosed
EP-1711491-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS Prosidion Limited (GB) 2006-10-18 EP disclosed
WO-2005061489-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2005-07-07 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 (1 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-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS GPR119, GCGR, GLP1R CYP1A2 873/4885CYP2D6 1397/4885MYC 3993/4885

“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.