SCHEMBL4789520

SCHEMBL4789520

NCc1nc(-c2c[nH]c3ncccc23)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 7/20 0.58
CDK9 P50750 6/20 0.58
CCNT1 O60563 4/20 0.58
CCNA2 P20248 4/20 0.58
CDK2 P24941 4/20 0.58
CDK5 Q00535 3/20 0.58
CCNA1 P78396 1/20 0.58
CDK5R1 Q15078 1/20 0.58
ROCK1 Q13464 3/20 0.54
DYRK1A Q13627 3/20 0.52
GSK3B P49841 3/20 0.50
CDK1 P06493 3/20 0.50
CCNB1 P14635 3/20 0.50
CDC7 O00311 2/20 0.50
DAPK3 O43293 2/20 0.50
MAP4K4 O95819 2/20 0.50
PIM1 P11309 2/20 0.50
PRKACA P17612 2/20 0.50
CDK8 P49336 2/20 0.50
CLK2 P49760 2/20 0.50

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
SCHEMBL4474062 0.83 PDPK1 (0.63) PDPK1CDK9CCNT1CCNA2CDK2
SCHEMBL23163201 0.83 ROCK1 (0.61) PDPK1CDK9CCNT1CCNA2CDK2
SCHEMBL23163147 0.82 CDK9 (0.57) PDPK1CDK9CCNT1CCNA2CDK2
SCHEMBL4789848 0.81 ROCK1 (0.59) PDPK1CDK9CCNT1CCNA2CDK2
SCHEMBL12281263 0.78 CDK9 (0.53) PDPK1CDK9CCNT1CCNA2CDK2
SCHEMBL13887963 0.77 ROCK1 (0.76) CCNA2CDK2CDK5CDK5R1ROCK1
SCHEMBL23163770 0.77 ROCK1 (0.54) PDPK1CDK9CCNT1CCNA2CDK2
SCHEMBL12280793 0.77 PDPK1 (0.49) PDPK1CDK9CCNT1CCNA2CDK2
SCHEMBL23163163 0.77 ROCK1 (0.55) PDPK1CCNA2CDK2CDK5CDK5R1
SCHEMBL23163165 0.77 ROCK1 (0.55) PDPK1CCNA2CDK2CDK5CDK5R1

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 10 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-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
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
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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 (2 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 PDPK1 2/4885CDK9 54/4885CCNT1 834/4885
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA PDPK1 382/4885CDK9 338/4885CCNT1 1568/4885

“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.