SCHEMBL7981725

SCHEMBL7981725

CCn1c(-c2ccc3[nH]c(C)nc3c2)nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
ALDH1A1 P00352 1/20 0.32
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
SCHEMBL7980172 0.93 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7988061 0.86 CCNC (0.35) CCNCCDK8
SCHEMBL7968660 0.85 QPCTL (0.33) CCNCCDK8
SCHEMBL1417681 0.83 TGFBR1 (0.39)
SCHEMBL7980874 0.81 CCNC (0.38) CYP2D6CYP2C9CYP2C19CCNCCDK8
SCHEMBL7970863 0.81 CCNC (0.38) CYP2D6CYP2C9CYP2C19CCNCCDK8
SCHEMBL1417973 0.81 FGFR2 (0.44)
SCHEMBL7971540 0.80 ALDH1A1 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7984509 0.80 NPC1 (0.34) CCNCCDK8
SCHEMBL12671345 0.79 TSHR (0.40) CYP2C9CYP2C19SMN1; SMN2CCNCCDK8

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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP 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 CYP1A2 320/4885CYP3A4 386/4885CYP2D6 969/4885

“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.