SCHEMBL4289323

SCHEMBL4289323

Cc1ncc(-c2cnc(Nc3cccc(N4CCNCC4)n3)s2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 1.00
CDK7 P50613 4/20 0.83
FLT3 P36888 6/20 0.52
KDR P35968 2/20 0.52
AURKA O14965 1/20 0.52
KCNH2 Q12809 1/20 0.49
CACNA1C Q13936 1/20 0.49
ASIC3 Q9UHC3 1/20 0.49
KIT P10721 5/20 0.48
SRC P12931 3/20 0.47
NTRK1 P04629 2/20 0.46

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
SCHEMBL4292030 0.91 CHEK1 (1.00) CHEK1CDK7FLT3KDRAURKA
SCHEMBL4295795 0.88 CHEK1 (1.00) CHEK1CDK7FLT3KDRAURKA
SCHEMBL4297776 0.79 CHEK1 (1.00) CHEK1CDK7
SCHEMBL4297185 0.78 CHEK1 (0.78) CHEK1CDK7FLT3KDRKIT
SCHEMBL24292329 0.77 FLT3 (0.75) CHEK1CDK7FLT3KDRAURKA
SCHEMBL4297337 0.75 CHEK1 (0.72) CHEK1CDK7FLT3KDRAURKA
SCHEMBL4301046 0.75 CHEK1 (0.72) CHEK1CDK7FLT3KDRAURKA
SCHEMBL13524972 0.71 CHEK1 (0.57) CHEK1CDK7FLT3KITSRC
SCHEMBL13524974 0.71 CHEK1 (0.57) CHEK1CDK7FLT3KITSRC
SCHEMBL18153419 0.70 BPTF (0.65) CHEK1CDK7KCNH2CACNA1CASIC3

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 39/4885FLT3 323/4885

“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.