SCHEMBL4288198

SCHEMBL4288198

[O-][n+]1ccc2cc(CO)c3ccc(Br)cc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.45
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PPM1A P35813 1/20 0.33
ERN1 O75460 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL13659623 0.81 CHEK1 (0.51) CHEK1LMNA
SCHEMBL4297821 0.74 CHEK1 (0.45) CHEK1MEN1KMT2ARXFP1KDM4E
SCHEMBL9475347 0.72 CHEK1 (0.50) CHEK1MEN1KMT2ARXFP1ERN1
SCHEMBL4296233 0.71 CHEK1 (0.47) CHEK1MEN1KMT2ARXFP1KDM4E
SCHEMBL4300826 0.69
SCHEMBL23557597 0.67 GPR84 (0.33)
SCHEMBL13659562 0.66 CHEK1 (0.36) CHEK1MEN1KMT2A
SCHEMBL31556379 0.66 CYP2A6 (0.46) MEN1KMT2AERN1KDM4ELMNA
SCHEMBL7002379 0.66 CYP2A6 (0.46) MEN1KMT2AERN1KDM4ELMNA
SCHEMBL1536308 0.66 CYP2A6 (0.46) MEN1KMT2AERN1KDM4ELMNA

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-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 1/4885MEN1 1110/4885KMT2A 348/4885

“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.