SCHEMBL7982961

SCHEMBL7982961

CCn1c(-c2ccc(F)cc2F)nnc1C(C)(C)Oc1ccc(C)nc1C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
P2RX7 Q99572 4/20 0.35
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
GRM2 Q14416 1/20 0.33

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
SCHEMBL7988318 0.85 RORC (0.40) RORCP2RX7
SCHEMBL7989180 0.83 MAPK14 (0.32) RORCPDE2APDE10AGRM2
SCHEMBL12671234 0.83 RORC (0.38) RORC
SCHEMBL7982966 0.82 P2RX7 (0.35) RORCP2RX7
SCHEMBL7980163 0.82 P2RX7 (0.36) P2RX7
SCHEMBL1417622 0.81 RORC (0.42) RORC
SCHEMBL7988390 0.79 HSD11B1 (0.38) RORCP2RX7
SCHEMBL7985365 0.78 RORC (0.38) RORC
SCHEMBL12671293 0.77 HSD11B1 (0.40) RORC
SCHEMBL12671351 0.77 HSD11B1 (0.53) PDE2APDE10A

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 3 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-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 RORC 574/4885P2RX7 4826/4885PDE2A 1318/4885

“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.