SCHEMBL4518813

SCHEMBL4518813

Cc1noc(C)c1-c1ccc2ccn3c(=O)[nH]nc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
BRD4 O60885 18/20 0.46
BRD2 P25440 1/20 0.45
CREBBP Q92793 1/20 0.45
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 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
SCHEMBL4240362 0.82 ACVR1 (0.47) BRD4
SCHEMBL4242137 0.80 PRMT5 (0.50) BRD4CREBBP
SCHEMBL4247370 0.77 ALK (0.37)
SCHEMBL4509185 0.74 CHEK1 (0.44) JAK2
SCHEMBL4496917 0.74 CHEK1 (0.47)
SCHEMBL4508970 0.74 CHEK1 (0.51)
SCHEMBL4508605 0.74 PIM1 (0.39)
SCHEMBL4517652 0.73 LTK (0.39)
SCHEMBL4500850 0.73 CHEK1 (0.48) PGR
SCHEMBL17698802 0.72 BRD4 (0.42) JAK2BRD4BRD2CREBBPNR3C1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501435-B2 Inhibitors of checkpoint kinases MERCK & CO., INC. (US) 2009-03-10 US disclosed
US-7501435-B2 Inhibitors of checkpoint kinases MERCK & CO., INC. (US) 2009-03-10 US disclosed
US-7501435-B2 Inhibitors of checkpoint kinases MERCK & CO., INC. (US) 2009-03-10 US disclosed
WO-2007127138-A1 TRIAZOLOQUINAZOLINONE DERIVATIVES AS INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-11-08 WO disclosed
US-20070254879-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
US-20070254879-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
US-20070254879-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2007-11-01 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-20070254879-A1 Inhibitors of checkpoint kinases CHEK1, CHEK2, PLK1 JAK2 979/4885BRD4 304/4885BRD2 448/4885

“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.