SCHEMBL17015651

SCHEMBL17015651

c1ccc(-c2ccc(-n3ccc4c3ccc3c5ccccc5n(-c5cccc(-c6ccc7c(ccc8ccccc87)c6)c5)c34)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 9/20 0.33
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
HSD17B1 P14061 4/20 0.32
HSD17B2 P37059 4/20 0.32
HTR7 P34969 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2B6 P20813 2/20 0.32
CYP2C19 P33261 2/20 0.32
CA9 Q16790 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
SCHEMBL17015180 0.98 KDM4E (0.34) PDPK1WNK1KDM4EATML3MBTL1
SCHEMBL17015731 0.95 WNK1 (0.32) PDPK1WNK1NR3C1KDM4EATM
SCHEMBL17016132 0.95 KDM4E (0.38) PDPK1NR3C1KDM4EATML3MBTL1
SCHEMBL17015649 0.95 PDPK1 (0.35) PDPK1NR3C1KDM4EATML3MBTL1
SCHEMBL17015181 0.95 KDM4E (0.38) PDPK1NR3C1KDM4EATML3MBTL1
SCHEMBL17015658 0.94 WNK1 (0.33) WNK1NR3C1KDM4EATML3MBTL1
SCHEMBL17016130 0.94 KDM4E (0.37) PDPK1WNK1KDM4EATML3MBTL1
SCHEMBL17015647 0.93 PDPK1 (0.33) PDPK1KDM4EATML3MBTL1HTR7
SCHEMBL17015730 0.92 PDPK1 (0.33) PDPK1NR3C1KDM4EATML3MBTL1
SCHEMBL17015194 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 PDPK1 3097/4885WNK1 3407/4885NR3C1 4630/4885

“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.