SCHEMBL2531354

SCHEMBL2531354

Cn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Cl)c3nc(Cc4ccccc4Cl)[nH]c23)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FABP4 P15090 1/20 0.35
PNP P00491 1/20 0.33
MAT2A P31153 1/20 0.33
PCK1 P35558 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE9A O76083 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32

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
SCHEMBL7661789 0.86 CCNE2 (0.30)
SCHEMBL3774414 0.81 USP2 (0.32) GRM4
SCHEMBL7666608 0.80 CHEK1 (0.31) PDE1APDE1BPDE1C
SCHEMBL7661801 0.79 HPGD (0.32)
SCHEMBL28350069 0.78 CACNA1H (0.32)
SCHEMBL149286 0.73 USP2 (0.32) GRM4
SCHEMBL7666616 0.72 CHEK1 (0.31) PDE1APDE1BPDE1C
SCHEMBL7171593 0.70
SCHEMBL8693371 0.70 GRM4 (0.31) GRM4
SCHEMBL8693411 0.70 GRM4 (0.31) MAPTGRM4

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-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 US claimed
US-8039500-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-18 US disclosed
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 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 (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-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS CRHR1, CRHR2, CRH LMNA 4243/4885MAPT 4049/4885KDM4E 1935/4885

“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.