SCHEMBL7984529

SCHEMBL7984529

CCn1c(-c2ccc3ncn(C)c3c2)nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
ADORA1 P30542 2/20 0.33
CHRM1 P11229 1/20 0.33
GSK3B P49841 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
SCHEMBL7984509 0.93 NPC1 (0.34) CCNCCDK8
SCHEMBL7971540 0.82 ALDH1A1 (0.37)
SCHEMBL12671345 0.81 TSHR (0.40) CCNCCDK8
SCHEMBL7968660 0.80 QPCTL (0.33) CCNCCDK8
SCHEMBL1418321 0.79 DYRK1A (0.35) DYRK1A
SCHEMBL7988061 0.79 CCNC (0.35) CCNCCDK8GSK3B
SCHEMBL1417571 0.78 ALPG (0.38)
SCHEMBL7981725 0.78 CYP1A2 (0.34) CCNCCDK8
SCHEMBL7970863 0.76 CCNC (0.38) CCNCCDK8GSK3B
SCHEMBL1417973 0.76 FGFR2 (0.44)

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 DYRK1A 2324/4885SLC16A3 1489/4885SLC16A1 943/4885

“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.