SCHEMBL12014910

SCHEMBL12014910

c1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3ccccc32)c2nccnc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ADORA2A P29274 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 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
SCHEMBL12014872 0.83 IDO1 (0.38) KDM4EATML3MBTL1CYP1A2CYP2C19
SCHEMBL12014892 0.81 L3MBTL1 (0.43) KDM4EATML3MBTL1CYP1A2CYP2C19
SCHEMBL12014908 0.81 DHODH (0.39) KDM4EATML3MBTL1ADORA2AMEN1
SCHEMBL12014895 0.75 KDM4E (0.35) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL23177382 0.74 KDM4E (0.43) KDM4EATML3MBTL1CYP1A2CYP2C19
SCHEMBL21213082 0.74 DHODH (0.34) KDM4EATML3MBTL1KMT2A
SCHEMBL21212872 0.74 ABCG2 (0.37) ADORA1
SCHEMBL1303181 0.73 KDM4E (0.54) KDM4EATML3MBTL1CYP1A2CYP2C19
SCHEMBL29389255 0.73 KDM4E (0.54) KDM4EATML3MBTL1CYP1A2CYP2C19
SCHEMBL21212867 0.72 TUBB4A (0.35) KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120217485-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-08-30 — — US disclosed
US-20120217485-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-08-30 — — 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-20120217485-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME OCIAD2, OCIAD1, OSBPL8 KDM4E 1835/4885ATM 4296/4885L3MBTL1 528/4885

“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.

Send feedback