SCHEMBL13701571

SCHEMBL13701571

Cc1ccc(-c2cnc(Nc3cccc(NCCCN)n3)s2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 1.00
CDK7 P50613 4/20 1.00
KDR P35968 9/20 0.54
KARS1 Q15046 1/20 0.42
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
PDGFRB P09619 1/20 0.41
MAP2K2 P36507 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL13701572 0.81 CHEK1 (0.68) CHEK1CDK7KDRLCK
SCHEMBL4289328 0.78 CHEK1 (0.64) CHEK1CDK7KDRABL1LCK
SCHEMBL22917513 0.71 CHEK1 (0.59) CHEK1CDK7KDRABL1LCK
SCHEMBL7237397 0.71 KDR (1.00) CHEK1CDK7KDRABL1LCK
SCHEMBL4297185 0.70 CHEK1 (0.78) CHEK1CDK7KDR
SCHEMBL4292030 0.70 CHEK1 (1.00) CHEK1CDK7KDR
SCHEMBL1629798 0.70 HRH3 (0.51) CHEK1CDK7KARS1IRAK4
SCHEMBL22917465 0.68 KIT (0.57) CHEK1CDK7KDR
SCHEMBL29539419 0.68 KIT (0.57) CHEK1CDK7KDR
SCHEMBL4301046 0.68 CHEK1 (0.72) CHEK1CDK7KDR

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 2 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

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.