SCHEMBL7980781

SCHEMBL7980781

Cc1cc(C)c(OC(C)(C)c2nnc(-c3ccc(C(N)=O)cc3F)n2C(C)C)cn1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.35
GPR119 Q8TDV5 2/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK14 Q16539 5/20 0.33
HSP90AA1 P07900 1/20 0.32
PTGER1 P34995 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
SCHEMBL7984652 0.86 KIT (0.31)
SCHEMBL7993135 0.86 MAPK14 (0.33) MAPK14
SCHEMBL7984317 0.85 MDM2 (0.34) SLC22A12GPR119KCNH2MAPK14PTGER1
SCHEMBL7985488 0.84 PTGER1 (0.40) MAPK14PTGER1
SCHEMBL7981358 0.83 MDM2 (0.39)
SCHEMBL12671358 0.82 SLC22A12 (0.36) SLC22A12MAPK14PTGER1
SCHEMBL7971468 0.82 MDM2 (0.37) MAPK14PTGER1
SCHEMBL12671386 0.82 KCNH2 (0.33) SLC22A12GPR119KCNH2
SCHEMBL7985480 0.81 MDM2 (0.36) SLC22A12
SCHEMBL7982387 0.75 MDM2 (0.36) MAPK14

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 SLC22A12 1160/4885GPR119 42/4885KCNH2 1893/4885

“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.