SCHEMBL368701

SCHEMBL368701

CC(C)(C)OC(=O)N1CCN(c2cc(N3CCCCC3)cn3c(=O)c(OCc4ccccc4)c(C(=O)NCc4ccc(F)cc4)nc23)C(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CCNA1 P78396 1/20 0.38
ENPP2 Q13822 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
TLR9 Q9NR96 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE7A Q13946 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACHE P22303 1/20 0.35
KIT P10721 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
SCHEMBL15092108 0.99 TP53 (0.40) TP53CCNT1CCNA2CDK2CDK9
SCHEMBL367968 0.96 TP53 (0.42) TP53CCNT1CCNA2CDK2CDK9
SCHEMBL367233 0.94 TP53 (0.39) TP53CCNT1CCNA2CDK2CDK9
SCHEMBL10071007 0.91 ENPP2 (0.39) TP53ENPP2SMN1; SMN2LMNAMAPT
SCHEMBL10069922 0.91 ENPP2 (0.39) TP53ENPP2SMN1; SMN2LMNAMAPT
SCHEMBL367841 0.90 TP53 (0.39) TP53CCNT1CCNA2CDK2CDK9
SCHEMBL368809 0.88 PDE4B (0.38) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL15101666 0.88 ENPP2 (0.42) TP53ENPP2SMN1; SMN2LMNAMAPT
SCHEMBL10070053 0.88 SMN1; SMN2 (0.42) TP53ENPP2SMN1; SMN2LMNAMAPT
SCHEMBL368957 0.87 TP53 (0.38) TP53CCNT1CCNA2CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
EP-2593460-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS Avexa Limited (AU) 2013-05-22 EP disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 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-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 TP53 3404/4885CCNT1 891/4885CCNA2 1690/4885

“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.