SCHEMBL17015658

SCHEMBL17015658

c1ccc(-c2ccc(-n3ccc4c3ccc3c5ccccc5n(-c5cccc(-c6ccc7cc8ccccc8cc7c6)c5)c34)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WNK1 Q9H4A3 1/20 0.33
NR3C1 P04150 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR7 P34969 1/20 0.32
HSD17B1 P14061 3/20 0.32
HSD17B2 P37059 3/20 0.32
BIRC5 O15392 1/20 0.31
MAOB P27338 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 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
SCHEMBL17015194 0.98 KDM4E (0.34) WNK1KDM4EATML3MBTL1HSD17B1
SCHEMBL17015740 0.95 WNK1 (0.32) WNK1NR3C1KDM4EATML3MBTL1
SCHEMBL17015193 0.95 KDM4E (0.38) NR3C1KDM4EATML3MBTL1HTR7
SCHEMBL17015657 0.95 KDM4E (0.35) NR3C1KDM4EATML3MBTL1HTR7
SCHEMBL17016140 0.95 KDM4E (0.38) NR3C1KDM4EATML3MBTL1HTR7
SCHEMBL17015651 0.94 PDPK1 (0.33) WNK1NR3C1KDM4EATML3MBTL1
SCHEMBL17016142 0.94 L3MBTL1 (0.37) WNK1KDM4EATML3MBTL1HSD17B1
SCHEMBL17015659 0.93 MAPK9 (0.33) NR3C1KDM4EATML3MBTL1HTR7
SCHEMBL17015739 0.92 NR3C1 (0.33) NR3C1KDM4EATML3MBTL1MAOB
SCHEMBL17015180 0.91 KDM4E (0.34) WNK1KDM4EATML3MBTL1HSD17B1

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 WNK1 3407/4885NR3C1 4630/4885KDM4E 1286/4885

“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.