SCHEMBL4303002

SCHEMBL4303002

COc1cc2c(cc1Br)c(C(=O)NCCN)cc1cc[nH]c(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.49
AKT1 P31749 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
DPP4 P27487 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL4297557 0.93 CHEK1 (0.48) CHEK1KDM4EMAPK1DPP4ALDH1A1
SCHEMBL4300854 0.83 CHEK1 (0.52) CHEK1KDM4ELMNA
SCHEMBL4296236 0.81 CHEK1 (0.57) CHEK1AKT1MAOB
SCHEMBL4292158 0.81 CHEK1 (0.64) CHEK1MAOB
SCHEMBL4292499 0.81 CHEK1 (0.48) CHEK1MAOB
SCHEMBL4293979 0.81 MAOB (0.49) CHEK1KDM4EALDH1A1MAPTMAOB
SCHEMBL4295221 0.78 CHEK1 (0.46) CHEK1KDM4EMAOB
SCHEMBL4297526 0.77 CHEK1 (0.57) CHEK1MAOB
SCHEMBL4292167 0.76 CHEK1 (0.61) CHEK1
SCHEMBL4300434 0.74 CHEK1 (0.42) CHEK1HPGDSMN1; SMN2MAOB

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 5 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
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 1/4885AKT1 1006/4885KDM4E 366/4885

“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.