SCHEMBL7985372

SCHEMBL7985372

COc1ccc(CN2Cc3cc(-c4nnc(C(C)(C)Oc5c(F)cc(Cl)cc5F)n4CC4CC4)ccc3C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.35
ADORA3 P0DMS8 3/20 0.34
PDE5A O76074 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
GRM2 Q14416 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL7981460 0.91 TNIK (0.37) TNIKPDE5AGRM2
SCHEMBL7985423 0.90 TNIK (0.36) TNIK
SCHEMBL7968654 0.87 TNIK (0.37) TNIKGRM2
SCHEMBL7968696 0.87 TNIK (0.35) TNIKPDE5AGRM2
SCHEMBL7980162 0.81 PDE5A (0.33) PDE5A
SCHEMBL7995270 0.80 IDH1 (0.33)
SCHEMBL7978767 0.80 DAPK3 (0.42)
SCHEMBL7968271 0.80 TP53 (0.35) PDE4A
SCHEMBL7970797 0.79 IDH1 (0.36)
SCHEMBL7982390 0.79 IDH1 (0.37) PDE5A

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 TNIK 1789/4885ADORA3 2765/4885PDE5A 781/4885

“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.