SCHEMBL7968650

SCHEMBL7968650

COc1ccc(CN2Cc3c(ccc(-c4nnc(C(C)(C)Oc5c(F)cc(Cl)cc5F)n4C)c3F)C2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.38
WDR5 P61964 1/20 0.37
CHRM5 P08912 1/20 0.35
AURKA O14965 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7982390 0.91 IDH1 (0.37) IDH1WDR5CHRM5
SCHEMBL7978763 0.90 IDH1 (0.41) IDH1WDR5CHRM5
SCHEMBL7995270 0.88 IDH1 (0.33) IDH1CHRM5LMNAHTTNPSR1
SCHEMBL12671371 0.82 LMNA (0.35) IDH1WDR5CHRM5LMNAHTT
SCHEMBL7981460 0.80 TNIK (0.37)
SCHEMBL7968654 0.80 TNIK (0.37) IDH1
SCHEMBL7980162 0.79 PDE5A (0.33) IDH1LMNAHTTNPSR1
SCHEMBL7985423 0.79 TNIK (0.36) IDH1
SCHEMBL7970797 0.79 IDH1 (0.36) IDH1
SCHEMBL7968271 0.78 TP53 (0.35) 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 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 IDH1 235/4885WDR5 4122/4885CHRM5 3478/4885

“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.