SCHEMBL7971704

SCHEMBL7971704

CCn1c(-c2cc3c(cc2F)C(=O)NC3)nnc1C(C)(C)Oc1c(F)cc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 1/20 0.32
NTRK1 P04629 1/20 0.32
PIM1 P11309 1/20 0.32
FLT3 P36888 1/20 0.32
GSK3B P49841 1/20 0.32
ROCK1 Q13464 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HTR1A P08908 4/20 0.31
DRD2 P14416 4/20 0.31
HTR2A P28223 4/20 0.31
SLC6A4 P31645 4/20 0.31
PIK3CD O00329 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
SCHEMBL7968333 0.93 DAPK3 (0.33) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL7995050 0.88 DAPK3 (0.34) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL1417456 0.87 DAPK3 (0.44) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL1418148 0.87 CLK4 (0.40) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL12671400 0.85 DAPK3 (0.32) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL7985587 0.84 DAPK3 (0.32) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL1418044 0.81 PIM1 (0.35) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL7982960 0.80 DAPK3 (0.45) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL7980163 0.78 P2RX7 (0.36)
SCHEMBL1417777 0.78 DAPK3 (0.33) DAPK3NTRK1PIM1FLT3GSK3B

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.