SCHEMBL17017757

SCHEMBL17017757

c1ccc(-n2ccc3ccc4c(c5ccccc5n4-c4cccc(-c5nc(-c6ccc7ccccc7c6)c6ccccc6n5)c4)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
KDM1A O60341 1/20 0.32
ABCG2 Q9UNQ0 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
VDR P11473 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
AHR P35869 1/20 0.31
NR1I3 Q14994 1/20 0.31
TDP2 O95551 1/20 0.31
ADORA2A P29274 1/20 0.30
CCR4 P51679 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL17017793 0.96 MEN1 (0.36) MEN1KMT2AATMAURKAAURKB
SCHEMBL17017775 0.96 MEN1 (0.35) MEN1KMT2AATMKDM1AABCG2
SCHEMBL17017764 0.94 MEN1 (0.40) MEN1KMT2AATMKDM1AABCG2
SCHEMBL17017771 0.93 MEN1 (0.39) MEN1KMT2AATMABCG2CYP1A2
SCHEMBL17017778 0.93 MEN1 (0.34) MEN1KMT2AATMABCG2ADORA2A
SCHEMBL17017728 0.93 ATM (0.37) MEN1KMT2AATMAURKAAURKB
SCHEMBL17017672 0.91 MEN1 (0.37) MEN1KMT2AATMAURKAAURKB
SCHEMBL17017767 0.91 MEN1 (0.34) MEN1KMT2AATMABCG2GAA
SCHEMBL17017774 0.90 MEN1 (0.36) MEN1KMT2AATM
SCHEMBL17017749 0.90 KMT2A (0.38) MEN1KMT2AATMKDM1AABCG2

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-9905777-B2 Compound and organic electroluminescence device comprising same DOOSAN CORPORATION (KR) 2018-02-27 US disclosed
US-9905777-B2 Compound and organic electroluminescence device comprising same DOOSAN CORPORATION (KR) 2018-02-27 US disclosed
US-20150236271-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME DOOSAN CORPORATION (KR) 2015-08-20 US disclosed
US-20150236271-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME DOOSAN CORPORATION (KR) 2015-08-20 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-20150236271-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME OR10J3, VDAC1, VDAC2 MEN1 1762/4885KMT2A 1420/4885ATM 3382/4885

“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.