SCHEMBL5378734

SCHEMBL5378734

Cc1nn(C)c2c(-c3ccc(OC(F)(F)F)cc3)nc(-c3ccc(F)cc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.48
KDM4C Q9H3R0 1/20 0.38
CHRNA7 P36544 4/20 0.38
SCN5A Q14524 1/20 0.37
TRPA1 O75762 1/20 0.37
SLC34A1 Q06495 2/20 0.37
HSD11B1 P28845 1/20 0.36
MAPT P10636 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
LIPE Q05469 1/20 0.36
PPARD Q03181 1/20 0.36
CACNA2D1 P54289 1/20 0.35
DPP4 P27487 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL27715058 0.85 CHRNA7 (0.47) TDP2CHRNA7
SCHEMBL5370179 0.83 KDM4E (0.46) TDP2KDM4CMAPTDPP4KDM4E
SCHEMBL5364034 0.77 TDP2 (0.45) TDP2KDM4CSCN5ASLC34A1MAPT
SCHEMBL5364112 0.76 CHRNA7 (0.44) CHRNA7MAPT
Hydrochloric Acid SCHEMBL5370431 0.75 CHRNA7 (0.43) CHRNA7MAPT
SCHEMBL6103076 0.72 MAPT (0.41) TDP2SCN5ATRPA1SLC34A1MAPT
SCHEMBL6105827 0.70 MTOR (0.35) TDP2CHRNA7TRPA1DPP4
Hydrochloric Acid SCHEMBL5360340 0.70 CHRNA7 (0.48) CHRNA7
SCHEMBL27695119 0.70 ABCG2 (0.47) TDP2ADORA3
SCHEMBL5377740 0.69 PDE5A (0.41) TDP2KDM4CMAPTADORA3KDM4E

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
EP-1814885-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-08-08 EP claimed
WO-2006073610-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO claimed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 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-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them HPSE, ENGASE, UGCG TDP2 3237/4885KDM4C 1022/4885CHRNA7 4833/4885

“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.