SCHEMBL4294867

SCHEMBL4294867

CN(C)CCNC(=O)c1ccc(-c2ccc3c(CO)cc4cc[nH]c(=O)c4c3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.67
SETD7 Q8WTS6 1/20 0.42
HPGD P15428 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
BRAF P15056 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL13662652 0.81 CHEK1 (0.60) CHEK1ABL1JAK2
SCHEMBL4290123 0.80 CHEK1 (0.55) CHEK1HPGD
SCHEMBL5015713 0.80 CHEK1 (0.58) CHEK1ABL1JAK2
SCHEMBL4291909 0.78 CHEK1 (0.56) CHEK1ABL1JAK2
SCHEMBL4291211 0.76 CHEK1 (0.59) CHEK1ABL1BCR
SCHEMBL15858028 0.75 BRAF (0.50) CHEK1SETD7BRAFJAK2
SCHEMBL4294729 0.75 CHEK1 (0.54) CHEK1HPGD
SCHEMBL4289142 0.75 CHEK1 (0.71) CHEK1HPGD
SCHEMBL2459201 0.74 JAK2 (0.60) CHEK1SETD7HPGDABL1BCR
SCHEMBL4296704 0.73 CHEK1 (0.53) CHEK1HPGDABL1JAK2

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 1/4885SETD7 1360/4885HPGD 3708/4885

“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.