SCHEMBL4296798

SCHEMBL4296798

O=c1[nH]ccc2ccc3ccc(Cl)cc3c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 1.00
TYMS P04818 3/20 0.49
AHR P35869 2/20 0.48
CMA1 P23946 1/20 0.48
ALDH1A1 P00352 2/20 0.44
PARP1 P09874 3/20 0.44
F7 P08709 1/20 0.44
LTA4H P09960 1/20 0.44
F3 P13726 1/20 0.44
NR4A2 P43354 1/20 0.44
JAK2 O60674 1/20 0.43
RPS6KA3 P51812 1/20 0.43
MELK Q14680 1/20 0.43
STK24 Q9Y6E0 1/20 0.43

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
SCHEMBL31352392 0.87 CHEK1 (0.77) CHEK1TYMSAHRCMA1ALDH1A1
SCHEMBL1536457 0.87 CHEK1 (0.77) CHEK1TYMSAHRCMA1ALDH1A1
SCHEMBL4292052 0.76 CHEK1 (0.65) CHEK1ALDH1A1F7F3
SCHEMBL4296686 0.76 CHEK1 (0.73) CHEK1ALDH1A1F7F3
SCHEMBL4287384 0.76 CHEK1 (1.00) CHEK1AHRALDH1A1F7LTA4H
SCHEMBL1536304 0.76 CHEK1 (0.61) CHEK1TYMSAHRCMA1ALDH1A1
SCHEMBL669508 0.76 PARP1 (0.70) CHEK1TYMSAHRALDH1A1PARP1
SCHEMBL4291925 0.74 CHEK1 (1.00) CHEK1
SCHEMBL4294119 0.73 CHEK1 (0.58) CHEK1TYMSALDH1A1PARP1
SCHEMBL6804986 0.72 CHEK1 (0.56) CHEK1AHRCMA1PARP1JAK2

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 7 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
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO 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 1/4885TYMS 370/4885AHR 2827/4885

“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.