SCHEMBL4298772

SCHEMBL4298772

O=C(O)c1cc2cc[nH]c(=O)c2c2cc(Cl)c(C(F)(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.46
ROCK2 O75116 3/20 0.38
TRPV1 Q8NER1 1/20 0.36
NOTUM Q6P988 2/20 0.36
KMO O15229 1/20 0.36
CDC42 P60953 1/20 0.35
ROCK1 Q13464 1/20 0.35
PKN2 Q16513 1/20 0.35
JAK2 O60674 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4295262 0.94 CHEK1 (0.54) CHEK1ROCK2CDC42ROCK1PKN2
SCHEMBL4295269 0.83 CHEK1 (0.61) CHEK1ROCK2TRPV1KDM4ENPSR1
SCHEMBL4300434 0.82 CHEK1 (0.42) CHEK1ROCK2
SCHEMBL4296686 0.77 CHEK1 (0.73) CHEK1KDM4E
SCHEMBL4292052 0.77 CHEK1 (0.65) CHEK1KMOKDM4E
SCHEMBL4287238 0.77 CHEK1 (0.48) CHEK1JAK2KDM4E
SCHEMBL30037800 0.75 ROCK2 (0.50) ROCK2CDC42ROCK1PKN2
SCHEMBL5025815 0.74 KDM4E (0.51) CHEK1ROCK2KDM4E
SCHEMBL4296227 0.74 CHEK1 (0.54) CHEK1KDM4E
SCHEMBL4287142 0.73 CHEK1 (0.44) CHEK1KDM4ENPSR1

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 1/4885ROCK2 1117/4885TRPV1 4178/4885

“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.