SCHEMBL17853628

SCHEMBL17853628

c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccccc3-c3ccncn3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 2/20 0.37
▸ MAPK12 P53778 2/20 0.37
▸ MAPK11 Q15759 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAOB P27338 3/20 0.34
▸ LMNA P02545 2/20 0.33
▸ BRAF P15056 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ NTSR1 P30989 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ADORA2A P29274 2/20 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
SCHEMBL17853511 0.91 KMT2A (0.39) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL17853624 0.91 KMT2A (0.40) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL17853634 0.89 KDM4E (0.36) KDM4EATML3MBTL1MAOBLMNA
SCHEMBL17853601 0.87 MAPT (0.44) MAPK14KDM4EATML3MBTL1LMNA
SCHEMBL17853618 0.87 TSHR (0.40) MAPK14KDM4EATML3MBTL1MAOB
SCHEMBL18820837 0.86 KDM4E (0.41) KDM4EATML3MBTL1MAOBLMNA
SCHEMBL17853504 0.84 KMT2A (0.42) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL17899202 0.83 TUBB4A (0.42) KDM4EATML3MBTL1MAOBLMNA
SCHEMBL17853620 0.83 CYP11B1 (0.42) MAPK14KDM4ELMNAPOLBKMT2A
SCHEMBL30460308 0.83 KDM4E (0.42) MAPK13MAPK12MAPK11MAPK14RAF1

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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — 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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, SLC39A11 MAPK13 2104/4885MAPK12 1423/4885MAPK11 562/4885

“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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