SCHEMBL7982045

SCHEMBL7982045

CCn1c(-c2ccc(C(N)=O)cc2)nnc1C(C)(C)Oc1ccc(Cl)cc1F

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.39
MAP4K4 O95819 1/20 0.37
SCN9A Q15858 4/20 0.37
HSD11B1 P28845 1/20 0.36
MAPT P10636 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL7981467 0.90 RORC (0.43)
SCHEMBL7992166 0.89 HSD11B1 (0.37) HSD11B1
SCHEMBL12810243 0.89 RORC (0.36)
SCHEMBL1417571 0.89 ALPG (0.38) ALPGMAP4K4
SCHEMBL7981156 0.88 HSD11B1 (0.36) HSD11B1
SCHEMBL7981464 0.87 KDM4E (0.36) HSD11B1
SCHEMBL7981478 0.87 ACSS2 (0.38) ALPG
SCHEMBL12671347 0.83 TSHR (0.41) MAPT
SCHEMBL7988236 0.82 JAK2 (0.39) ALPGMAPT
SCHEMBL7982928 0.82 MAPK14 (0.39)

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 ALPG 3480/4885MAP4K4 2580/4885SCN9A 913/4885

“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.