SCHEMBL2612693

SCHEMBL2612693

Cc1cnc2[nH]c3c(C)c(C#N)cc(N)c3c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
CLK1 P49759 2/20 0.36
CLK2 P49760 2/20 0.36
DYRK1A Q13627 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
CLK3 P49761 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
NUAK1 O60285 1/20 0.31
HSP90AB1 P08238 1/20 0.30
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
EPHB6 O15197 1/20 0.30
RPS6KA4 O75676 1/20 0.30
STK16 O75716 1/20 0.30
STK10 O94804 1/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL10253950 0.86 PDK2 (0.39) PDK2PDK4CLK1CLK2DYRK1A
SCHEMBL2612692 0.84 PDK2 (0.37) PDK2PDK4CLK1CLK2DYRK1A
SCHEMBL14547429 0.82 DYRK1A (0.52) PDK2CLK1CLK2DYRK1ACLK4
SCHEMBL645961 0.76 CHEK1 (0.36) PDK2PDK4CHEK1EGFR
SCHEMBL4414587 0.73 NUAK1 (0.39) PDK2PDK4NUAK1PLK4CHEK1
SCHEMBL13598849 0.71 PDK2 (0.41) PDK2PDK4NUAK1PLK4CHEK1
SCHEMBL13598827 0.68 PDK2 (0.39) PDK2PDK4NUAK1PLK4CHEK1
SCHEMBL645506 0.68 PDK2 (0.36) PDK2PDK4MAP3K11
SCHEMBL12969458 0.67 PDK2 (0.35) PDK2PDK4
SCHEMBL10253473 0.67 CHEK1 (0.38) PDK2PDK4CHEK1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
US-20120095233-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2012-04-19 US disclosed
US-20120095233-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2012-04-19 US disclosed
US-8119655-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-21 US disclosed
US-8119655-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-21 US disclosed
US-20100160633-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100120717-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100120717-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20090312288-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
US-20090312288-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
EP-2133349-A1 Kinase inhibitors Takeda San Diego, Inc. (US) 2009-12-16 EP disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 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 (7 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-20120095233-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PDK2 442/4885PDK4 611/4885CLK1 392/4885
US-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 PDK2 437/4885PDK4 619/4885CLK1 363/4885
US-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PDK2 442/4885PDK4 611/4885CLK1 392/4885
US-20090312288-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PDK2 442/4885PDK4 611/4885CLK1 392/4885
US-20100160633-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PDK2 442/4885PDK4 611/4885CLK1 392/4885
US-20100120717-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 PDK2 361/4885PDK4 552/4885CLK1 410/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PDK2 442/4885PDK4 611/4885CLK1 392/4885

“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.