SCHEMBL17017672

SCHEMBL17017672

c1ccc(-n2ccc3c4c5ccccc5n(-c5cccc(-c6nc(-c7ccc8ccccc8c7)c7ccccc7n6)c5)c4ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
ABCG2 Q9UNQ0 4/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2B6 P20813 2/20 0.32
AHR P35869 2/20 0.32
NR1I3 Q14994 2/20 0.32
VDR P11473 1/20 0.32
TDP2 O95551 1/20 0.31
ADORA2A P29274 2/20 0.31
GAA P10253 1/20 0.31
WHR1 P49842 1/20 0.31
CCR4 P51679 1/20 0.31
KDM1A O60341 1/20 0.31
GBA1 P04062 1/20 0.31

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
SCHEMBL17017689 0.96 MEN1 (0.38) MEN1KMT2AATMAURKAAURKB
SCHEMBL17017691 0.96 MEN1 (0.37) MEN1KMT2AATMABCG2CYP1A2
SCHEMBL17017658 0.92 ATM (0.38) MEN1KMT2AATMAURKAAURKB
SCHEMBL17017681 0.92 MEN1 (0.42) MEN1KMT2AATMABCG2CYP1A2
SCHEMBL17017675 0.92 MEN1 (0.41) MEN1KMT2AATMABCG2CYP1A2
SCHEMBL17017680 0.91 MEN1 (0.36) MEN1KMT2AATMABCG2CYP1A2
SCHEMBL20152155 0.91 MEN1 (0.41) MEN1KMT2AATMAURKAAURKB
SCHEMBL17017757 0.91 MEN1 (0.35) MEN1KMT2AATMAURKAAURKB
SCHEMBL20152154 0.90 MEN1 (0.43) MEN1KMT2AATMAURKAAURKB
SCHEMBL19654051 0.90 ATM (0.41) MEN1KMT2AATMAURKAAURKB

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.