SCHEMBL7970797

SCHEMBL7970797

COc1ccc(CN2Cc3cc(-c4nnc(C(C)(C)Oc5c(F)cc(Cl)cc5F)n4C(C)C)c(F)cc3C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.36
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 1/20 0.32
DPP4 P27487 1/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
P2RX3 P56373 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
SCHEMBL7978782 0.95 IDH1 (0.36) IDH1POLBCYP3A4DPP4PDE1A
SCHEMBL7995270 0.91 IDH1 (0.33) IDH1POLB
SCHEMBL7968654 0.90 TNIK (0.37) IDH1MAPK1
SCHEMBL7980162 0.88 PDE5A (0.33) IDH1POLB
SCHEMBL7978763 0.88 IDH1 (0.41) IDH1POLBCYP3A4DPP4
SCHEMBL7968271 0.87 TP53 (0.35) IDH1MAPK1PDE1APDE1BPDE1C
SCHEMBL12671371 0.85 LMNA (0.35) IDH1POLB
SCHEMBL7981640 0.83 LMNA (0.33) IDH1POLB
SCHEMBL7985423 0.82 TNIK (0.36) IDH1
SCHEMBL7985804 0.81 TP53 (0.37) IDH1PDE1APDE1BPDE1C

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 235/4885POLB 2414/4885MAPK1 467/4885

“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.