SCHEMBL7984308

SCHEMBL7984308

CC(C)(Oc1c(F)cc(Cl)cc1F)c1nnc(-c2cc3c(cc2F)C(=O)NC3)n1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 1/20 0.33
NTRK1 P04629 1/20 0.33
PIM1 P11309 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
ROCK1 Q13464 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PDE4A P27815 1/20 0.30

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
SCHEMBL7985587 0.93 DAPK3 (0.32) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL1418044 0.88 PIM1 (0.35) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL12671375 0.88 GSK3B (0.44) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL1417777 0.85 DAPK3 (0.33) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL7968333 0.85 DAPK3 (0.33) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL7985778 0.84 DAPK3 (0.43) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL1417911 0.80 GSK3B (0.43) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL7995050 0.80 DAPK3 (0.34) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL7981764 0.78 HSD11B1 (0.33)
SCHEMBL7968271 0.77 TP53 (0.35) PDE4A

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 DAPK3 518/4885NTRK1 2692/4885PIM1 1610/4885

“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.