SCHEMBL4301049

SCHEMBL4301049

Cc1ccc(-c2cnc(Nc3cc(Cl)ccn3)s2)cn1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.61
KDR P35968 9/20 0.56
CDK7 P50613 3/20 0.51

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
SCHEMBL4294922 0.78 KDR (0.57) CHEK1KDRCDK7
SCHEMBL4291422 0.78 CHEK1 (0.62) CHEK1KDRCDK7
SCHEMBL4289328 0.77 CHEK1 (0.64) CHEK1KDRCDK7
SCHEMBL4292680 0.76 CHEK1 (1.00) CHEK1CDK7
SCHEMBL4292087 0.76 CHEK1 (0.83) CHEK1
SCHEMBL4298906 0.76 CHEK1 (1.00) CHEK1KDRCDK7
SCHEMBL13701567 0.76 CHEK1 (1.00) CHEK1KDRCDK7
SCHEMBL4287383 0.75 CHEK1 (0.59) CHEK1KDRCDK7
SCHEMBL4287665 0.75 CHEK1 (0.75) CHEK1CDK7
SCHEMBL4301212 0.74 CHEK1 (0.72) 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 3 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 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

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 1/4885KDR 3027/4885CDK7 39/4885

“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.