SCHEMBL4290179

SCHEMBL4290179

NCCNC(=O)c1cncc(-c2cnc(Nc3ncccc3Cl)s2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 1.00
CDK7 P50613 10/20 1.00
SCN2A Q99250 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42

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
SCHEMBL5138529 0.91 CHEK1 (0.83) CHEK1CDK7SCN2ASCN10A
SCHEMBL4292050 0.89 CHEK1 (0.80) CHEK1CDK7
SCHEMBL4294935 0.89 CHEK1 (1.00) CHEK1CDK7
SCHEMBL4297957 0.88 CHEK1 (0.78) CHEK1CDK7
SCHEMBL4296207 0.87 CHEK1 (1.00) CHEK1CDK7
SCHEMBL4294431 0.86 CHEK1 (0.76) CHEK1CDK7
SCHEMBL4294904 0.86 CHEK1 (0.76) CHEK1CDK7SCN2ASCN10A
SCHEMBL13701623 0.85 CHEK1 (0.74) CHEK1CDK7SCN2ASCN10A
SCHEMBL4287434 0.85 CHEK1 (0.73) CHEK1CDK7
SCHEMBL4292630 0.84 CHEK1 (0.73) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US claimed
EP-1893607-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-03-05 EP claimed
WO-2006135604-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-12-21 WO claimed
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
EP-1893607-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-03-05 EP disclosed
WO-2006135604-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-12-21 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-20090233896-A1 Inhibitors of checkpoint kinases CHEK1, CHEK2, PLK1 CHEK1 1/4885CDK7 39/4885SCN2A 4368/4885

“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.