SCHEMBL17015649

SCHEMBL17015649

c1ccc(-c2ccc(-n3ccc4c3ccc3c5ccccc5n(-c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c34)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 10/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR3C1 P04150 1/20 0.34
CA9 Q16790 1/20 0.33
BIRC5 O15392 1/20 0.33
MAOB P27338 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
HTR7 P34969 1/20 0.32
HDAC4 P56524 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
SCHEMBL17016132 0.98 KDM4E (0.38) PDPK1KDM4EATML3MBTL1NR3C1
SCHEMBL17015181 0.98 KDM4E (0.38) PDPK1KDM4EATML3MBTL1NR3C1
SCHEMBL17015651 0.95 PDPK1 (0.33) PDPK1KDM4EATML3MBTL1NR3C1
SCHEMBL17015730 0.95 PDPK1 (0.33) PDPK1KDM4EATML3MBTL1NR3C1
SCHEMBL17015647 0.94 PDPK1 (0.33) PDPK1KDM4EATML3MBTL1CA9
SCHEMBL17015657 0.93 KDM4E (0.35) KDM4EATML3MBTL1NR3C1BIRC5
SCHEMBL17015180 0.92 KDM4E (0.34) PDPK1KDM4EATML3MBTL1CA9
SCHEMBL17016130 0.92 KDM4E (0.37) PDPK1KDM4EATML3MBTL1CA9
SCHEMBL17015193 0.91 KDM4E (0.38) KDM4EATML3MBTL1NR3C1BIRC5
SCHEMBL17016140 0.91 KDM4E (0.38) KDM4EATML3MBTL1NR3C1BIRC5

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-9837618-B2 Compound and organic electroluminescence device including thesame DOOSAN CORPORATION (KR) 2017-12-05 US disclosed
US-9837618-B2 Compound and organic electroluminescence device including thesame DOOSAN CORPORATION (KR) 2017-12-05 US disclosed
US-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME DOOSAN CORPORATION (KR) 2015-08-20 US disclosed
US-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME 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-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME INMT, IDO1, IDO2 PDPK1 3097/4885KDM4E 1286/4885ATM 3623/4885

“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.