SCHEMBL367841

SCHEMBL367841

CN(C)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2=O)c2nc(C(=O)NCc3ccc(F)cc3)c(OCc3ccccc3)c(=O)n2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
ENPP2 Q13822 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TLR9 Q9NR96 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ACHE P22303 1/20 0.35
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
P2RX7 Q99572 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
HTR2A P28223 1/20 0.34
SCD O00767 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
SCHEMBL367643 0.92 TP53 (0.39) TP53ENPP2MEN1KMT2ATLR9
SCHEMBL367968 0.91 TP53 (0.42) TP53ENPP2MEN1KMT2ATLR9
SCHEMBL15101329 0.91 ENPP2 (0.39) TP53ENPP2MEN1KMT2ALMNA
SCHEMBL15092108 0.91 TP53 (0.40) TP53ENPP2MEN1KMT2ATLR9
SCHEMBL368701 0.90 TP53 (0.40) TP53ENPP2MEN1KMT2ATLR9
SCHEMBL367233 0.90 TP53 (0.39) TP53ENPP2MEN1KMT2ATLR9
SCHEMBL368710 0.88 TLR9 (0.40) MEN1KMT2ATLR9CCNT1CCNA2
SCHEMBL367642 0.87 TP53 (0.39) TP53MEN1KMT2ATLR9CCNT1
SCHEMBL12505473 0.85 SCD (0.39) TP53MEN1KMT2ALMNAL3MBTL1
SCHEMBL368957 0.85 TP53 (0.38) TP53ENPP2MEN1KMT2ATLR9

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 3404/4885ENPP2 1628/4885MEN1 4041/4885

“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.