SCHEMBL17017657

SCHEMBL17017657

c1ccc(-c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5c6ccn(-c7ccccc7)c6ccc54)cc3)nc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
ATM Q13315 3/20 0.39
MEN1 O00255 3/20 0.39
ABCG2 Q9UNQ0 3/20 0.34
MAPT P10636 2/20 0.34
PTK2B Q14289 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PDE5A O76074 2/20 0.33
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
ACP1 P24666 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GBA1 P04062 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL17017665 0.94 KMT2A (0.39) KMT2AATMMEN1ABCG2MAPT
SCHEMBL17017637 0.92 KMT2A (0.47) KMT2AATMMEN1ABCG2MAPT
SCHEMBL17017662 0.91 ATM (0.36) KMT2AATMMEN1ABCG2MAPT
SCHEMBL17017692 0.91 MEN1 (0.33) KMT2AATMMEN1ABCG2KDM4E
SCHEMBL17017663 0.91 KMT2A (0.43) KMT2AATMMEN1ABCG2MAPT
SCHEMBL17017653 0.91 KMT2A (0.46) KMT2AATMMEN1ABCG2MAPT
SCHEMBL17017660 0.89 ATM (0.39) KMT2AATMMEN1ABCG2MAPT
SCHEMBL15596613 0.88 KMT2A (0.37) KMT2AATMMEN1ABCG2MAPT
SCHEMBL17017664 0.88 KMT2A (0.41) KMT2AATMMEN1ABCG2MAPT
SCHEMBL17017661 0.87 KMT2A (0.40) KMT2AATMMEN1ABCG2MAPT

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 1420/4885ATM 3382/4885MEN1 1762/4885

“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.