SCHEMBL965839

SCHEMBL965839

CCCCc1nc(Cl)c(C=O)n1Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.67
AGTR2 P50052 4/20 0.67
GP6 Q9HCN6 1/20 0.63
PDE4A P27815 3/20 0.56
PDE4B Q07343 3/20 0.56
PDE4C Q08493 3/20 0.56
PDE4D Q08499 3/20 0.56
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
TLR7 Q9NYK1 1/20 0.52

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
SCHEMBL17943651 0.90 AGTR1 (0.62) AGTR1AGTR2GP6
SCHEMBL18003201 0.90 AGTR1 (0.61) AGTR1AGTR2GP6
SCHEMBL8638896 0.88 AGTR1 (0.58) AGTR1AGTR2GP6PDE4APDE4B
SCHEMBL28517678 0.87 AGTR1 (0.59) AGTR1AGTR2GP6
SCHEMBL4639444 0.87 AGTR1 (0.59) AGTR1AGTR2GP6
SCHEMBL8568897 0.87 AGTR1 (0.59) AGTR1AGTR2GP6
SCHEMBL9423362 0.87 AGTR1 (0.65) AGTR1AGTR2GP6TLR7
SCHEMBL7828008 0.87 AGTR1 (0.64) AGTR1AGTR2GP6
SCHEMBL28517096 0.86 AGTR1 (0.56) AGTR1AGTR2GP6
SCHEMBL9152560 0.85 AGTR1 (0.62) AGTR1AGTR2GP6

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
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 AGTR1 173/4885AGTR2 258/4885GP6 3690/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG AGTR1 119/4885AGTR2 176/4885GP6 3373/4885

“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.