SCHEMBL7988048

SCHEMBL7988048

CCn1c(-c2ccc3[nH]nc(Cl)c3c2)nnc1C(C)(C)Oc1c(F)cc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.36
CDK8 P49336 5/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK1 P49759 2/20 0.32
CLK2 P49760 2/20 0.32
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 0.32
PIK3C3 Q8NEB9 2/20 0.32
LATS2 Q9NRM7 2/20 0.32
DYRK1B Q9Y463 2/20 0.32
CSNK1G3 Q9Y6M4 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CDK19 Q9BWU1 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
SCHEMBL7970863 0.94 CCNC (0.38) CCNCCDK8KDM4EALDH1A1MAPT
SCHEMBL7988052 0.91 CDK8 (0.34) CCNCCDK8KDM4EALDH1A1MAPT
SCHEMBL7980874 0.87 CCNC (0.38) CCNCCDK8KDM4EALDH1A1MAPT
SCHEMBL7984537 0.82 CCNC (0.31) CCNCCDK8KDM4E
SCHEMBL7980172 0.79 CYP1A2 (0.33) ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL7980168 0.79 QPCTL (0.32) ALDH1A1
SCHEMBL7988061 0.79 CCNC (0.35) CCNCCDK8CLK1CLK2GSK3A
Hydrochloric Acid SCHEMBL1418565 0.79 QPCTL (0.32)
SCHEMBL7984625 0.78 KDM4E (0.36) KDM4EALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL1417681 0.78 TGFBR1 (0.39) GSK3B

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 CCNC 4625/4885CDK8 3503/4885KDM4E 3912/4885

“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.