SCHEMBL4291979

SCHEMBL4291979

N#Cc1cc2ccc(Br)cc2c2c(=O)[nH]ccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.71
MCL1 Q07820 2/20 0.38
TYMS P04818 3/20 0.38
AHR P35869 2/20 0.36
CYP2A6 P11509 1/20 0.36
NR4A2 P43354 1/20 0.36
PIM1 P11309 2/20 0.34
FLT3 P36888 2/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34

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
SCHEMBL4298767 0.83 CHEK1 (0.90) CHEK1MCL1AHRCYP2A6NR4A2
SCHEMBL4300788 0.83 CHEK1 (1.00) CHEK1MCL1AHRCYP2A6NR4A2
SCHEMBL4295647 0.75 CHEK1 (0.71) CHEK1TYMSAHRPIM1FLT3
SCHEMBL13659542 0.71 CHEK1 (0.70) CHEK1MCL1JAK2RPS6KA3DYRK1A
SCHEMBL1868599 0.70 AHR (0.53) CHEK1TYMSAHRCYP2A6NR4A2
SCHEMBL29440599 0.70 AHR (0.53) CHEK1TYMSAHRCYP2A6NR4A2
SCHEMBL4292060 0.69 CHEK1 (0.54) CHEK1TYMS
SCHEMBL4291532 0.69 CHEK1 (0.75) CHEK1MCL1
SCHEMBL4297153 0.67 CHEK1 (0.55) CHEK1
SCHEMBL4297641 0.67 CHEK1 (0.47) CHEK1TYMSAKT1

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 claimed
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

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 1/4885MCL1 343/4885TYMS 370/4885

“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.