SCHEMBL17017679

SCHEMBL17017679

c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4cccc(-n5c6ccccc6c6c7ccn(-c8ccccc8)c7ccc65)c4)nc4ccccc34)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 2/20 0.39
ABCG2 Q9UNQ0 7/20 0.35
PDE5A O76074 2/20 0.33
PDE10A Q9Y233 1/20 0.33
GAA P10253 1/20 0.33
WHR1 P49842 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL17017678 0.94 KMT2A (0.33) MEN1KMT2AATMABCG2PDE10A
SCHEMBL17017675 0.94 MEN1 (0.41) MEN1KMT2AATMABCG2PDE5A
SCHEMBL17017681 0.92 MEN1 (0.42) MEN1KMT2AATMABCG2PDE10A
SCHEMBL17017663 0.92 KMT2A (0.43) MEN1KMT2AATMABCG2PDE5A
SCHEMBL15684043 0.92 KDM4E (0.37) MEN1KMT2AATMABCG2PDE10A
SCHEMBL17017680 0.91 MEN1 (0.36) MEN1KMT2AATMABCG2PDE10A
SCHEMBL17017674 0.91 MEN1 (0.36) MEN1KMT2AATMABCG2PDE5A
SCHEMBL17017692 0.90 MEN1 (0.33) MEN1KMT2AATMABCG2PDE5A
SCHEMBL17017688 0.89 KMT2A (0.41) MEN1KMT2AATMABCG2PDE5A
SCHEMBL20427188 0.89 KDM4E (0.36) MEN1KMT2AATMABCG2PDE10A

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.