SCHEMBL7981206

SCHEMBL7981206

CCNC(=O)c1cn(C)nc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
PLAT P00750 1/20 0.40
CHIA Q9BZP6 1/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK10 P53779 1/20 0.37
MGLL Q99685 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
CSNK1D P48730 1/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 1/20 0.37
KLKB1 P03952 3/20 0.36
CYP1A2 P05177 1/20 0.36
ALPL P05186 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL7977685 0.84 GAA (0.46) BRD4GAAKDM4EALDH1A1PKM
SCHEMBL2900910 0.79 EPHX2 (0.44) GAAKDM4EALDH1A1MGLLPDK1
SCHEMBL24159185 0.78 EPHX2 (0.40) GAAALDH1A1MGLLPDK1PDK2
SCHEMBL15884484 0.76 ELANE (0.43) GAAKDM4EALDH1A1HPGDCSNK1D
SCHEMBL21854109 0.73 PROKR1 (0.40) KDM4EALDH1A1MGLLPDK1PDK2
SCHEMBL24660141 0.73 MGLL (0.41) GAAALDH1A1MGLLPDK1PDK2
SCHEMBL3062387 0.72 PROKR1 (0.41) GAAKDM4EALDH1A1MGLLPDK1
SCHEMBL29333903 0.72 MGLL (0.40) KDM4EALDH1A1MGLLPDK1PDK2
SCHEMBL18712972 0.72 MGLL (0.39) BRD4KDM4EALDH1A1PKMHPGD
SCHEMBL15885602 0.71 PDK1 (0.38) MAPK1MGLLPDK1PDK2LMNA

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 BRD4 1594/4885PLAT 3844/4885CHIA 4224/4885

“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.