SCHEMBL7989180

SCHEMBL7989180

Cc1ccc(OC(C)(C)c2nnc(-c3ccc(F)cc3F)n2C(C)C)c(C)n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
RORC P51449 1/20 0.31
ADORA2A P29274 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL7984648 0.90 GRM2 (0.31) GRM2
SCHEMBL12671384 0.87 CTSA (0.33)
SCHEMBL7984317 0.86 MDM2 (0.34) MAPK14
SCHEMBL7981311 0.85 BRD4 (0.32) MAPK14RORC
SCHEMBL7982961 0.83 RORC (0.40) PDE2APDE10ARORCGRM2
SCHEMBL12671365 0.83 NR3C1 (0.35) MAPK14
SCHEMBL7993135 0.82 MAPK14 (0.33) MAPK14
SCHEMBL7985488 0.81 PTGER1 (0.40) MAPK14
SCHEMBL12677421 0.79 HSD11B1 (0.34)
SCHEMBL12671293 0.77 HSD11B1 (0.40) MAPK14RORC

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-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 MAPK14 583/4885PDE2A 1318/4885PDE10A 1524/4885

“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.