SCHEMBL12321663

SCHEMBL12321663

NCc1nnc(-c2c[nH]c3ncccc23)o1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.58
CDC7 O00311 15/20 0.58
CCNE1 P24864 15/20 0.58
DBF4 Q9UBU7 15/20 0.58
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
PDPK1 O15530 3/20 0.46
TGFBR1 P36897 3/20 0.46
CCNA2 P20248 1/20 0.46
CCNA1 P78396 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
IKBKE Q14164 1/20 0.45

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
SCHEMBL1558081 0.82 CDK2 (0.60) CDK2CDC7CCNE1DBF4CCNT1
SCHEMBL5112553 0.80 IKBKB (0.47) CDK2CDK9CDK5
SCHEMBL12321651 0.78 PDPK1 (0.49) CDK2CDC7CCNE1DBF4CCNT1
SCHEMBL12409357 0.77 CDC7 (0.67) CDK2CDC7CCNE1DBF4CCNT1
SCHEMBL12280938 0.76 CDK2 (0.49) CDK2CDC7CCNE1DBF4CCNT1
SCHEMBL12322306 0.75 CDK2 (0.52) CDK2CDC7CCNE1DBF4CCNT1
SCHEMBL12321253 0.75 PDPK1 (0.48) CDK2CDC7CCNE1DBF4CCNT1
SCHEMBL28447487 0.75 MPO (0.47) CDK2CDC7CCNE1DBF4
SCHEMBL28326793 0.75 CDC7 (0.57) CDK2CDC7CCNE1DBF4CCNT1
SCHEMBL2179323 0.74 CDC7 (0.69) CDK2CDC7CCNE1DBF4CCNT1

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-8552019-B2 Inhibitors of phosphoinositide dependent kinase 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
WO-2010065384-A1 INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2010-06-10 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-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PDK1, PDPK1, PDK3 CDK2 48/4885CDC7 129/4885CCNE1 996/4885

“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.