SCHEMBL17879720

SCHEMBL17879720

CCOC(=O)c1cc2c(-c3ccccc3CC)cn(C)c(=O)c2n1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.56
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 4/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
RECQL P46063 1/20 0.40
MAPK1 P28482 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
PABPC1 P11940 1/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL17879721 0.86 BRD4 (0.54) BRD4KDM4EALDH1A1HSD17B10HPGD
SCHEMBL17879711 0.81 BRD4 (0.46) BRD4
SCHEMBL17879719 0.81 BRD4 (0.44) BRD4KDM4EALDH1A1HSD17B10HPGD
SCHEMBL17879712 0.78 BRD4 (0.43) BRD4
SCHEMBL17879714 0.78 BRD4 (0.43) BRD4
SCHEMBL18086995 0.75 BRD4 (0.43) BRD4
SCHEMBL15069348 0.72 BRD4 (1.00) BRD4
SCHEMBL15788355 0.72 BRD4 (0.45) BRD4
SCHEMBL15788367 0.71 MAPK1 (0.42) KDM4EALDH1A1HSD17B10HPGDRXFP1
SCHEMBL17879717 0.70 UCHL1 (0.39) BRD4KDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957263-B2 Bromodomain inhibitors ABBVIE INC. (US) 2018-05-01 US disclosed
US-20160272630-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2016-09-22 US disclosed
US-20160185769-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2016-06-30 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 (2 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-20160272630-A1 Bromodomain Inhibitors BRD4, BRDT, EP300 BRD4 1/4885KDM4E 1675/4885ALDH1A1 2088/4885
US-20160185769-A1 Bromodomain Inhibitors BRD1, BRD4, BRD3 BRD4 2/4885KDM4E 834/4885ALDH1A1 1678/4885

“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.