SCHEMBL14770516

SCHEMBL14770516

COc1ccc(C(O)c2nc3cccnc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MLKL Q8NB16 2/20 0.46
CCNB2 O95067 2/20 0.45
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
CCNB3 Q8WWL7 2/20 0.45
RIPK1 Q13546 1/20 0.45
PDE10A Q9Y233 2/20 0.44
ATM Q13315 1/20 0.43
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
AURKA O14965 1/20 0.39
PDE2A O00408 1/20 0.39

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
SCHEMBL12065648 0.84 PDE10A (0.42) MLKLPDE10APDE2A
SCHEMBL14770695 0.81 CCNB2 (0.45) MLKLCCNB2CDK1CCNB1CCNB3
SCHEMBL14770661 0.80 MLKL (0.72) GAATSHRMAPK1MLKLPDE10A
SCHEMBL14770513 0.79 MLKL (0.43) GAATSHRMAPK1MLKLATM
SCHEMBL14770724 0.79 MEN1 (0.41) GAATSHRMAPK1MLKLCCNB2
SCHEMBL14770725 0.79 MEN1 (0.39) GAATSHRMAPK1MLKLCCNB2
SCHEMBL14770511 0.79 MEN1 (0.44) GAATSHRMAPK1MLKLCCNB2
SCHEMBL16447860 0.76 ROCK2 (0.48) CCNB2CDK1CCNB1CCNB3RIPK1
SCHEMBL14770690 0.74 MLKL (0.52) GAATSHRMAPK1MLKLPDE10A
SCHEMBL23181665 0.72 ALDH1A1 (0.35) MAPK1MLKLCCNB2CDK1CCNB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 US disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 US 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-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE CACNA1E, CACNA1G, CACNA1A GAA 3586/4885TSHR 730/4885MAPK1 2854/4885

“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.