SCHEMBL368957

SCHEMBL368957

CC1COCCN1c1cc(N2CCN(C(=O)OC(C)(C)C)CC2=O)c2nc(C(=O)NCc3ccc(F)cc3)c(OCc3ccccc3)c(=O)n2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
LRRK2 Q5S007 1/20 0.37
PIK3R1 P27986 4/20 0.35
PIK3CA P42336 4/20 0.35
ENPP2 Q13822 1/20 0.35
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CCNA1 P78396 1/20 0.34
MTOR P42345 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
LMNA P02545 1/20 0.33
CNR2 P34972 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE7A Q13946 1/20 0.33
TLR9 Q9NR96 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL15101630 0.92 ENPP2 (0.36) TP53PIK3R1PIK3CAENPP2MTOR
SCHEMBL369174 0.89 LRRK2 (0.39) LRRK2PIK3R1PIK3CAMTORGPR119
SCHEMBL367968 0.88 TP53 (0.42) TP53ENPP2CCNT1CCNA2CDK2
SCHEMBL15092108 0.88 TP53 (0.40) TP53ENPP2CCNT1CCNA2CDK2
SCHEMBL368701 0.87 TP53 (0.40) TP53ENPP2CCNT1CCNA2CDK2
SCHEMBL367233 0.87 TP53 (0.39) TP53ENPP2CCNT1CCNA2CDK2
SCHEMBL367841 0.85 TP53 (0.39) TP53ENPP2CCNT1CCNA2CDK2
SCHEMBL367642 0.83 TP53 (0.39) TP53CCNT1CCNA2CDK2CDK9
SCHEMBL15101330 0.83 ENPP2 (0.38) TP53ENPP2LMNACNR2PDE4B
SCHEMBL367643 0.82 TP53 (0.39) TP53ENPP2CCNT1CCNA2CDK2

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 3404/4885LRRK2 2544/4885PIK3R1 2320/4885

“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.