SCHEMBL9976765

SCHEMBL9976765

Brc1cc2c(cc(Br)c3cccnc32)c2ncccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.66
HSP90AA1 P07900 6/20 0.66
HTT P42858 6/20 0.66
TDP1 Q9NUW8 5/20 0.66
TP53 P04637 5/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
USP2 O75604 2/20 0.66
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
APAF1 O14727 1/20 0.55
TDP2 O95551 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 5/20 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
SCHEMBL27934157 0.92 MEN1 (0.58) KDM4EHSP90AA1HTTTDP1TP53
SCHEMBL9860748 0.85 KDM4E (0.59) KDM4EHSP90AA1HTTTDP1TP53
SCHEMBL22117517 0.84 KDM4E (0.58) KDM4EHSP90AA1HTTTDP1TP53
SCHEMBL504434 0.81 CCR1 (0.61) KDM4EHSP90AA1HTTTDP1TP53
Broxyquinoline SCHEMBL29607319 0.79 KDM4E (1.00) KDM4EHSP90AA1HTTTDP1TP53
Water SCHEMBL28360091 0.79 CCR1 (0.59) KDM4EHSP90AA1HTTTDP1TP53
SCHEMBL17965489 0.79 CCR1 (0.59) KDM4EHSP90AA1HTTTDP1TP53
SCHEMBL2204811 0.79 HSP90AA1 (0.62) KDM4EHSP90AA1HTTTDP1TP53
Broxyquinoline SCHEMBL115293 0.79 KDM4E (1.00) KDM4EHSP90AA1HTTTDP1TP53
Broxyquinoline SCHEMBL30485535 0.79 KDM4E (1.00) KDM4EHSP90AA1HTTTDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916864-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-12-23 US disclosed
US-8916864-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-12-23 US disclosed
US-8877354-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-11-04 US disclosed
US-8877354-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-11-04 US disclosed
US-20140027749-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-01-30 US disclosed
US-20140027749-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-01-30 US disclosed
US-8569751-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2013-10-29 US disclosed
US-8569751-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2013-10-29 US disclosed
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed
US-20120153269-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed
US-20120153269-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed
WO-2011021545-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-02-24 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 (2 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-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME ORC3, CYP1A1, CRY1 KDM4E 2985/4885HSP90AA1 4603/4885HTT 2721/4885
US-20120153269-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME DDT, OR10J3, SUN2 KDM4E 430/4885HSP90AA1 4717/4885HTT 1030/4885

“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.