SCHEMBL355769

SCHEMBL355769

Cn1c(-c2cc[n+]([O-])cc2F)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.44
PDE10A Q9Y233 5/20 0.44
AGPAT2 O15120 1/20 0.43
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
HSD11B1 P28845 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTR3B O95264 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 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
SCHEMBL10248962 0.85 AGPAT2 (0.41) AGPAT2PIK3CAPIK3CBPIK3CGCA12
SCHEMBL10281012 0.83 HSD11B1 (0.52) PDE2APDE10AAGPAT2PIK3CAPIK3CB
SCHEMBL10275170 0.83 POLB (0.42) PDE2APDE10AAGPAT2HSD11B1PTGS2
SCHEMBL167798 0.83 CA12 (0.44) PDE2APDE10AAGPAT2PIK3CAPIK3CB
SCHEMBL167106 0.78 PDE10A (0.46) PDE2APDE10AAGPAT2PIK3CAPIK3CB
SCHEMBL15426497 0.78 HSD11B1 (0.49) PDE2APDE10AAGPAT2PIK3CAPIK3CB
SCHEMBL24397667 0.76 PDE2A (0.46) PDE2APDE10AAGPAT2PIK3CAPIK3CB
SCHEMBL29497618 0.76 PDE2A (0.46) PDE2APDE10AAGPAT2PIK3CAPIK3CB
SCHEMBL18498677 0.73 PDE2A (0.42) PDE2APDE10AAGPAT2PIK3CAPIK3CB
SCHEMBL10249125 0.72 AKT1 (0.32) PDE2APDE10A

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
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 EP disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 PDE2A 4247/4885PDE10A 4112/4885AGPAT2 3286/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 PDE2A 4247/4885PDE10A 4112/4885AGPAT2 3286/4885

“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.