SCHEMBL17570302

SCHEMBL17570302

N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(C#N)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSPO P30536 1/20 0.38
RAC2 P15153 1/20 0.36
RAC3 P60763 1/20 0.36
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HDAC4 P56524 1/20 0.35
STAT3 P40763 1/20 0.34
PDE9A O76083 1/20 0.34
PDE1C Q14123 1/20 0.34
PARP1 P09874 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
EDNRB P24530 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
SCHEMBL17574241 0.96 KDM4E (0.39) KDM4EATML3MBTL1TSPORAC2
SCHEMBL23263912 0.93 TSPO (0.41) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL24329070 0.93 TSPO (0.41) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL24328507 0.93 TSPO (0.41) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL17570301 0.93 TSPO (0.41) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL24329067 0.93 TSPO (0.41) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL21884031 0.92 TSPO (0.40) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL21884024 0.92 TSPO (0.40) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL21765765 0.92 TSPO (0.40) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL21840840 0.92 TSPO (0.40) KDM4EATML3MBTL1TSPOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10002685-B2 Charge-transporting thin film Konica Minolta, Inc. (JP) 2018-06-19 US disclosed
US-10002685-B2 Charge-transporting thin film Konica Minolta, Inc. (JP) 2018-06-19 US disclosed
US-9991453-B2 Electronic device, organic electroluminescent element, organic thin-film solar cell, and dye-sensitized solar cell Konica Minolta, Inc. (JP) 2018-06-05 US disclosed
US-9991453-B2 Electronic device, organic electroluminescent element, organic thin-film solar cell, and dye-sensitized solar cell Konica Minolta, Inc. (JP) 2018-06-05 US disclosed
US-20160079548-A1 ELECTRONIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC THIN-FILM SOLAR CELL, AND DYE-SENSITIZED SOLAR CELL MERCK PATENT GMBH (DE) 2016-03-17 US disclosed
US-20160071625-A1 CHARGE-TRANSPORTING THIN FILM UDC IRELAND LIMITED (IE) 2016-03-10 US disclosed
US-20160071625-A1 CHARGE-TRANSPORTING THIN FILM UDC IRELAND LIMITED (IE) 2016-03-10 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-20160079548-A1 ELECTRONIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC THIN-FILM SOLAR CELL, AND DYE-SENSITIZED SOLAR CELL CDH1, EPCAM, SLC7A5 KDM4E 1485/4885ATM 4030/4885L3MBTL1 2215/4885

“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.