SCHEMBL7968271

SCHEMBL7968271

COc1ccc(CN2Cc3cc(-c4nnc(C(C)(C)Oc5c(F)cc(Cl)cc5F)n4C4CC4)c(F)cc3C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
PDE4A P27815 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
MAPK1 P28482 1/20 0.32
IDH1 O75874 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
SCHEMBL7985804 0.95 TP53 (0.37) TP53PDE1APDE1BPDE1CIDH1
SCHEMBL7995270 0.90 IDH1 (0.33) IDH1
SCHEMBL7980162 0.88 PDE5A (0.33) IDH1
SCHEMBL7968696 0.87 TNIK (0.35) TP53MAPK1
SCHEMBL7970797 0.87 IDH1 (0.36) PDE1APDE1BPDE1CMAPK1IDH1
SCHEMBL12671371 0.84 LMNA (0.35) IDH1
SCHEMBL7981640 0.82 LMNA (0.33) IDH1
SCHEMBL7978782 0.81 IDH1 (0.36) PDE1APDE1BPDE1CIDH1
SCHEMBL7985372 0.80 TNIK (0.35) PDE4A
SCHEMBL7981460 0.79 TNIK (0.37)

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 TP53 3435/4885PDE4A 1846/4885PDE1A 1540/4885

“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.