SCHEMBL4159485

SCHEMBL4159485

CC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(-c6nnn[nH]6)ccc45)cc3c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.77
CDK7 P50613 14/20 0.69

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
SCHEMBL5055589 0.91 CHEK1 (0.64) CHEK1CDK7
SCHEMBL5054048 0.87 CHEK1 (0.62) CHEK1CDK7
SCHEMBL4156767 0.87 CHEK1 (0.58) CHEK1CDK7
SCHEMBL5054083 0.85 CHEK1 (0.57) CHEK1CDK7
SCHEMBL5054037 0.84 CHEK1 (0.77) CHEK1CDK7
SCHEMBL150384 0.84 CHEK1 (1.00) CHEK1CDK7
SCHEMBL5054012 0.84 CHEK1 (0.69) CHEK1CDK7
SCHEMBL27688761 0.83 CHEK1 (0.79) CHEK1CDK7
SCHEMBL5054030 0.82 CHEK1 (0.72) CHEK1CDK7
SCHEMBL5054053 0.82 CHEK1 (0.79) CHEK1CDK7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192155-A1 Identification of Compounds Suitable for Treating Ad MERCK SHARP & DOHME LIMITED (GB) 2009-07-30 US disclosed
EP-1983979-A1 IDENTIFICATION OF COMPOUNDS SUITABLE FOR TREATING AD Merck Sharp & Dohme Limited (GB) 2008-10-29 EP disclosed
CN-101115724-A Inhibitors of checkpoint kinases MERCK & CO INC (US) 2008-01-30 CN disclosed
US-20080004259-A1 Inhibitors of Checkpoint Kinases MERCK & CO., INC. 2008-01-03 US disclosed
US-20080004259-A1 Inhibitors of Checkpoint Kinases MERCK & CO., INC. 2008-01-03 US disclosed
US-20080004259-A1 Inhibitors of Checkpoint Kinases MERCK & CO., INC. 2008-01-03 US disclosed
EP-1851203-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2007-11-07 EP disclosed
WO-2007088400-A1 IDENTIFICATION OF COMPOUNDS SUITABLE FOR TREATING AD MERCK SHARP & DOHME LIMITED (GB) 2007-08-09 WO disclosed
WO-2006086255-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-08-17 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 (2 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-20090192155-A1 Identification of Compounds Suitable for Treating Ad PSEN2, MAPT, PSEN1 CHEK1 2578/4885CDK7 413/4885
US-20080004259-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, BUB1B CHEK1 1/4885CDK7 43/4885

“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.