SCHEMBL17828951

SCHEMBL17828951

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc6ccc7ccccc7c56)cc4)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
KDM4E B2RXH2 6/20 0.38
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
PTGER4 P35408 1/20 0.37
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 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
SCHEMBL17828953 0.97 PTGES (0.39) PTGESKDM4EATML3MBTL1PIK3CD
SCHEMBL17828957 0.96 PIK3CD (0.37) PTGESKDM4EATML3MBTL1PIK3CD
SCHEMBL17878992 0.95 PTGES (0.42) PTGESKDM4EATML3MBTL1PIK3CD
SCHEMBL17879001 0.95 PTGES (0.42) PTGESKDM4EATML3MBTL1PIK3CD
SCHEMBL17828970 0.94 PTGES (0.42) PTGESKDM4EATML3MBTL1PIK3CD
SCHEMBL17828934 0.93 PTGES (0.39) PTGESKDM4EATML3MBTL1PIK3CD
SCHEMBL17829220 0.93 PTGES (0.40) PTGESKDM4EATML3MBTL1PIK3CD
SCHEMBL18213943 0.93 PTGES (0.40) PTGESKDM4EATML3MBTL1PIK3CD
SCHEMBL17828987 0.93 PTGES (0.41) PTGESKDM4EATML3MBTL1PIK3CD
SCHEMBL17829008 0.92 PTGES (0.39) PTGESKDM4EATML3MBTL1PIK3CD

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-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 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-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME L1CAM, LEF1, EML4 PTGES 3205/4885KDM4E 2236/4885ATM 2921/4885

“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.