SCHEMBL4291580

SCHEMBL4291580

NCCNC(=O)c1cncc(-c2cnc(Nc3cccc(Cl)c3)s2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.74
CDK7 P50613 9/20 0.74
KDR P35968 4/20 0.52
CSNK2A2 P19784 1/20 0.48
CLK2 P49760 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
CSNK2A3 Q8NEV1 1/20 0.48
HDAC3 O15379 2/20 0.47
ABL1 P00519 2/20 0.47
PDGFRB P09619 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47

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
SCHEMBL4297777 0.85 CHEK1 (1.00) CHEK1CDK7
SCHEMBL4293171 0.84 CHEK1 (0.51) CHEK1CDK7KDRHDAC3ABL1
SCHEMBL4296207 0.84 CHEK1 (1.00) CHEK1CDK7KDRHDAC3ABL1
SCHEMBL4290179 0.82 CHEK1 (1.00) CHEK1CDK7
SCHEMBL4294520 0.81 CHEK1 (0.77) CHEK1CDK7
SCHEMBL4297957 0.81 CHEK1 (0.78) CHEK1CDK7
SCHEMBL4301105 0.81 CHEK1 (0.76) CHEK1CDK7KDR
SCHEMBL4294506 0.80 CHEK1 (0.75) CHEK1CDK7
SCHEMBL4295403 0.79 CHEK1 (0.71) CHEK1CDK7
SCHEMBL4292050 0.79 CHEK1 (0.80) CHEK1CDK7KDRHDAC3ABL1

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 39/4885KDR 3027/4885

“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.