SCHEMBL5458766

SCHEMBL5458766

COc1ccc(CNc2cc(C)nc3c(C)cnn23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.52
GPR39 O43194 1/20 0.50
GSK3B P49841 1/20 0.50
PDE2A O00408 5/20 0.48
NPY1R P25929 1/20 0.47
LMNA P02545 4/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL5458441 0.88 KCNN3 (0.48) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5460455 0.84 CDK2 (0.58) MEN1KMT2ANPC1RAB9AGSK3B
SCHEMBL5468155 0.80 KCNN3 (0.55) MEN1KMT2ARAB9APDE2ALMNA
SCHEMBL5453718 0.78 TP53 (0.58) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL11962825 0.76 KMT2A (0.48) MEN1KMT2ANPC1RAB9AGPR39
SCHEMBL23152045 0.75 GSK3B (0.48) MEN1KMT2APOLBGSK3BLMNA
SCHEMBL16935020 0.74 PI4KB (0.66) MEN1KMT2ARAB9ANPY1RLMNA
SCHEMBL33378009 0.74 CDK7 (0.52) PDE2A
SCHEMBL16935133 0.73 MAPT (0.67) MEN1KMT2ANPY1RLMNAHPGD
SCHEMBL7443472 0.72 KMT2A (0.57) MEN1KMT2ANPC1RAB9AGPR39

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-20070060595-A1 Novel fused heterocyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-15 US claimed
EP-1671962-A1 NOVEL FUSED HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-21 EP claimed
US-20070060595-A1 Novel fused heterocyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-15 US disclosed
EP-1671962-A1 NOVEL FUSED HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-21 EP 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-20070060595-A1 Novel fused heterocyclic compound and use thereof JUN, CHUK, RELA MEN1 4094/4885KMT2A 2779/4885NPC1 2289/4885

“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.