SCHEMBL12014908

SCHEMBL12014908

c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3nccnc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.39
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ HTT P42858 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ PDE10A Q9Y233 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33

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
SCHEMBL21213082 0.91 DHODH (0.34) DHODHKDM4EALDH1A1HPGDMAPT
SCHEMBL12014870 0.84 DHODH (0.46) DHODHKDM4EALDH1A1HPGDMAPT
SCHEMBL12014907 0.83 MTOR (0.41) DHODHKDM4EALDH1A1HPGDMAPT
SCHEMBL12014938 0.83 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL12014913 0.82 DHFR (0.43) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL21212877 0.81 HTR2B (0.39) DHODHPDE10A
SCHEMBL12014909 0.81 TLR7 (0.36) DHODHKDM4EALDH1A1HPGDMAPT
SCHEMBL12014910 0.81 KDM4E (0.35) KDM4EKMT2AL3MBTL1ATMADORA2A
SCHEMBL21212880 0.81 KDM4E (0.38) KDM4EALDH1A1L3MBTL1ATMPDE10A
SCHEMBL21213356 0.81 KDM4E (0.38) KDM4EHPGDL3MBTL1ATMHTT

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 DHODH 334/4885KDM4E 1835/4885ALDH1A1 933/4885

“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.

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