SCHEMBL7982966

SCHEMBL7982966

CCn1c(-c2ccc(F)cc2F)nnc1C(C)(C)Oc1cnc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
RORC P51449 1/20 0.34
SLC6A4 P31645 1/20 0.34
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
MAPK14 Q16539 1/20 0.32
AKT1 P31749 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL7993135 0.84 MAPK14 (0.33) SLC6A4MAPK14
SCHEMBL7982961 0.82 RORC (0.40) P2RX7RORC
SCHEMBL7980163 0.82 P2RX7 (0.36) P2RX7
SCHEMBL7988318 0.80 RORC (0.40) P2RX7RORC
SCHEMBL12671234 0.78 RORC (0.38) RORCMAPK14
SCHEMBL7968294 0.77 HSD11B1 (0.49)
SCHEMBL1417622 0.77 RORC (0.42) RORCMAPK14
SCHEMBL7984652 0.74 KIT (0.31)
SCHEMBL7988390 0.74 HSD11B1 (0.38) P2RX7RORC
SCHEMBL7982385 0.74 KIT (0.31) P2RX7

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 P2RX7 4826/4885RORC 574/4885SLC6A4 462/4885

“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.