SCHEMBL4288029

SCHEMBL4288029

COC(=O)c1cc2ccncc2c2cc(Br)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HTT P42858 2/20 0.47
NR4A2 P43354 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 2/20 0.40
PARP1 P09874 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4300956 0.84 CHEK1 (0.53) CHEK1KDM4EHTTNR4A2RXFP1
SCHEMBL13659554 0.83 KDM4E (0.67) KDM4EHTTKMT2AMEN1ALDH1A1
SCHEMBL4302560 0.83 RXFP1 (0.64) L3MBTL1HSD17B10KDM4EHTTKMT2A
SCHEMBL4290175 0.77 KDM4E (0.43) CHEK1L3MBTL1KDM4EHTTNR4A2
SCHEMBL4297119 0.76 KDM4E (0.39) CHEK1L3MBTL1HSD17B10KDM4EHTT
SCHEMBL4292026 0.74 KDM4E (0.42) HSD17B10KDM4EHTTNR4A2KMT2A
SCHEMBL4296278 0.74 KDM4E (0.40) CHEK1L3MBTL1KDM4EHTTNR4A2
SCHEMBL23043865 0.74 KDM4E (0.57) L3MBTL1HSD17B10KDM4EKMT2AALDH1A1
SCHEMBL29707053 0.74 KDM4E (0.57) L3MBTL1HSD17B10KDM4EKMT2AALDH1A1
SCHEMBL29760386 0.74 KDM4E (0.57) L3MBTL1HSD17B10KDM4EKMT2AALDH1A1

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-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A CHEK1 1/4885L3MBTL1 1853/4885HSD17B10 4115/4885

“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.