SCHEMBL12671237

SCHEMBL12671237

CCn1c(-c2ccc(C#N)cc2Cl)nnc1C(C)(C)Oc1c(F)cc(F)cc1F

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.33
HSD11B1 P28845 1/20 0.33
CYP11B1 P15538 1/20 0.33
AR P10275 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL12671238 0.91 PRKDC (0.36) CYP11B2CYP11B1AR
SCHEMBL12671235 0.89 GPR6 (0.37) HSD11B1AR
SCHEMBL1417662 0.88 HSD11B1 (0.40) HSD11B1
SCHEMBL1418638 0.88 NSD2 (0.33) CYP11B2CYP11B1AR
SCHEMBL12671315 0.87 EGLN2 (0.35) CYP11B2HSD11B1TSHR
SCHEMBL12671343 0.87 AR (0.37) CYP11B2HSD11B1ARTSHR
Hydrochloric Acid SCHEMBL1417650 0.87 HSD11B1 (0.40) HSD11B1
SCHEMBL12671338 0.86 CYP11B1 (0.36) CYP11B2CYP11B1TSHR
SCHEMBL7978754 0.85 HSD11B1 (0.35) HSD11B1
SCHEMBL12671321 0.85 HSD11B1 (0.38) CYP11B2HSD11B1TSHR

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 4 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

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 CYP11B2 12/4885HSD11B1 1/4885CYP11B1 10/4885

“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.