SCHEMBL17017688

SCHEMBL17017688

c1ccc(-n2ccc3c4c5ccccc5n(-c5cccc(-c6nc(-c7ccc(-c8ncccn8)cc7)c7ccccc7n6)c5)c4ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 4/20 0.36
PTK2B Q14289 1/20 0.36
WHR1 P49842 1/20 0.34
ABCG2 Q9UNQ0 5/20 0.32
PDE5A O76074 4/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PPP1CA P62136 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
SCHEMBL17017681 0.93 MEN1 (0.42) KMT2AMEN1ATMMAPTNPSR1
SCHEMBL17017675 0.93 MEN1 (0.41) KMT2AMEN1ATMMAPTNPSR1
SCHEMBL17017650 0.92 KMT2A (0.41) KMT2AMEN1ATMMAPTNPSR1
SCHEMBL17017686 0.92 KMT2A (0.37) KMT2AMEN1ATMMAPTNPSR1
SCHEMBL17017786 0.90 KMT2A (0.39) KMT2AMEN1ATMMAPTNPSR1
SCHEMBL17017687 0.90 MAPT (0.36) KMT2AMEN1MAPTNPSR1PTK2B
SCHEMBL17017679 0.89 MEN1 (0.39) KMT2AMEN1ATMWHR1ABCG2
SCHEMBL15596445 0.89 KMT2A (0.39) KMT2AMEN1ATMMAPTNPSR1
SCHEMBL17017674 0.89 MEN1 (0.36) KMT2AMEN1ATMWHR1ABCG2
SCHEMBL17017680 0.89 MEN1 (0.36) KMT2AMEN1ATMWHR1ABCG2

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.