SCHEMBL7988052

SCHEMBL7988052

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 0.34
CCNC P24863 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.32
MAP2K4 P45985 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MAPKAPK3 Q16644 1/20 0.32
MAPK6 Q16659 1/20 0.32
CDK1 P06493 2/20 0.32
CDK2 P24941 2/20 0.32
PLK4 O00444 1/20 0.32
MAPK13 O15264 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 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
SCHEMBL7980874 0.93 CCNC (0.38) CDK8CCNCALDH1A1KDM4EMAPT
SCHEMBL7988048 0.91 CCNC (0.36) CDK8CCNCALDH1A1KDM4EMAPT
SCHEMBL7970863 0.85 CCNC (0.38) CDK8CCNCALDH1A1KDM4EMAPT
SCHEMBL7984537 0.83 CCNC (0.31) CDK8CCNCKDM4E
SCHEMBL7980168 0.81 QPCTL (0.32) ALDH1A1
SCHEMBL7980172 0.81 CYP1A2 (0.33) ALDH1A1
SCHEMBL1417454 0.80 METAP2 (0.30)
Hydrochloric Acid SCHEMBL1418565 0.80 QPCTL (0.32)
SCHEMBL7984625 0.79 KDM4E (0.36) ALDH1A1KDM4EMAPT
SCHEMBL1418147 0.78

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 CDK8 3503/4885CCNC 4625/4885ALDH1A1 359/4885

“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.