SCHEMBL17017677

SCHEMBL17017677

c1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4cccc(-n5c6ccccc6c6c7ccn(-c8ccccc8)c7ccc65)c4)nc4ccccc34)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ATM Q13315 1/20 0.32
CYP19A1 P11511 2/20 0.31
ABCG2 Q9UNQ0 4/20 0.31
GAA P10253 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP11B1 P15538 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE10A Q9Y233 2/20 0.31
MAPT P10636 1/20 0.30
PTK2B Q14289 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ACHE P22303 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
SCHEMBL17017668 0.93 KMT2A (0.37) KMT2AMEN1ATMCYP19A1ABCG2
SCHEMBL17017678 0.92 KMT2A (0.33) KMT2AMEN1ATMCYP19A1ABCG2
SCHEMBL17017674 0.91 MEN1 (0.36) KMT2AMEN1ATMABCG2GAA
SCHEMBL17017681 0.90 MEN1 (0.42) KMT2AMEN1ATMABCG2GAA
SCHEMBL17017675 0.90 MEN1 (0.41) KMT2AMEN1ATMABCG2GAA
SCHEMBL17017758 0.90 MEN1 (0.31) KMT2AMEN1ATM
SCHEMBL17017680 0.89 MEN1 (0.36) KMT2AMEN1ATMABCG2GAA
SCHEMBL15596425 0.89 MEN1 (0.32) KMT2AMEN1ATMABCG2GAA
SCHEMBL17017679 0.88 MEN1 (0.39) KMT2AMEN1ATMABCG2GAA
SCHEMBL17017649 0.87 KDM4E (0.34) KMT2ACYP19A1CYP17A1CYP11B1KDM4E

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 KMT2A 1420/4885MEN1 1762/4885ATM 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.