SCHEMBL5453718

SCHEMBL5453718

COc1ccc(CNc2cc(C)nc3cc(C)nn23)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.58
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 3/20 0.58
RAB9A P51151 3/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 1/20 0.58
PDE2A O00408 7/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
BRD4 O60885 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL5456353 0.89 KCNN3 (0.52) TP53KDM4EALDH1A1RAB9AHPGD
SCHEMBL5441839 0.87 TSHR (0.46) TP53KDM4EALDH1A1RAB9AHPGD
SCHEMBL5467844 0.85 TP53 (0.53) TP53KDM4EALDH1A1RAB9AHPGD
SCHEMBL5468155 0.85 KCNN3 (0.55) TP53KDM4EALDH1A1RAB9AHPGD
SCHEMBL15416776 0.83 KDM4E (0.69) TP53KDM4EALDH1A1RAB9AHPGD
SCHEMBL7830106 0.82 PDE2A (0.48) TP53KDM4EALDH1A1RAB9AHPGD
SCHEMBL7827833 0.78 KDM4E (0.56) TP53KDM4EALDH1A1RAB9AHPGD
SCHEMBL5458766 0.78 MEN1 (0.58) KDM4EALDH1A1RAB9AHPGDPDE2A
SCHEMBL15416770 0.77 TSHR (0.61) TP53KDM4EALDH1A1RAB9AHPGD
SCHEMBL7831632 0.75 BRD4 (0.42) TP53KDM4EALDH1A1RAB9AHPGD

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 TP53 840/4885KDM4E 1873/4885ALDH1A1 677/4885

“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.