SCHEMBL7985423

SCHEMBL7985423

COc1ccc(CN2Cc3cc(-c4nnc(C(C)(C)Oc5c(F)cc(Cl)cc5F)n4CC(C)C)ccc3C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
IDH1 O75874 1/20 0.34
SDCBP O00560 1/20 0.33
SDC2 P34741 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 0.92 TNIK (0.37) TNIKMEN1KMT2A
SCHEMBL7968654 0.90 TNIK (0.37) TNIKIDH1
SCHEMBL7985372 0.90 TNIK (0.35) TNIK
SCHEMBL7968696 0.85 TNIK (0.35) TNIK
SCHEMBL7980162 0.82 PDE5A (0.33) MEN1KMT2AIDH1
SCHEMBL7970797 0.82 IDH1 (0.36) IDH1
SCHEMBL7995270 0.81 IDH1 (0.33) IDH1
SCHEMBL7982390 0.80 IDH1 (0.37) IDH1
SCHEMBL7985441 0.80 DAPK3 (0.44)
SCHEMBL7978763 0.79 IDH1 (0.41) IDH1

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
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
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 1789/4885MEN1 2484/4885KMT2A 2930/4885

“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.