SCHEMBL645029

SCHEMBL645029

CCS(=O)(=O)c1cccc(-c2cc(C(N)=O)cc3[nH]c4ncc(C)cc4c23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.54
PLK4 O00444 2/20 0.54
CHEK1 O14757 2/20 0.54
AURKA O14965 2/20 0.54
ABL1 P00519 2/20 0.54
EGFR P00533 2/20 0.54
NTRK1 P04629 2/20 0.54
LCK P06239 2/20 0.54
FYN P06241 2/20 0.54
LYN P07948 2/20 0.54
FGFR1 P11362 2/20 0.54
FER P16591 2/20 0.54
MARK3 P27448 2/20 0.54
FLT3 P36888 2/20 0.54
FRK P42685 2/20 0.54
SYK P43405 2/20 0.54
GSK3A P49840 2/20 0.54
GSK3B P49841 2/20 0.54
RPS6KA3 P51812 2/20 0.54
PRKAA1 Q13131 2/20 0.54

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
SCHEMBL644220 0.92 PLK4 (0.55) CDK9PLK4CHEK1AURKAABL1
SCHEMBL645340 0.90 PLK4 (0.53) CDK9PLK4CHEK1AURKAABL1
SCHEMBL645622 0.89 PLK4 (0.54) CDK9PLK4CHEK1AURKAABL1
SCHEMBL647084 0.86 CHEK1 (0.54) CDK9PLK4CHEK1AURKAABL1
SCHEMBL13515867 0.85 BTK (0.48) CDK9PLK4CHEK1AURKAABL1
SCHEMBL645320 0.85 BTK (0.60) CDK9PLK4CHEK1AURKAABL1
SCHEMBL644908 0.85 FYN (0.52) CDK9PLK4CHEK1AURKAABL1
SCHEMBL28779314 0.85 PLK4 (0.53) CDK9PLK4CHEK1AURKAABL1
SCHEMBL14534096 0.84 MAP2 (0.46) PLK4CHEK1AURKAABL1EGFR
SCHEMBL2620672 0.84 MAP2 (0.38) CDK9PLK4CHEK1AURKAABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119655-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-21 US claimed
US-20100190816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US claimed
EP-2081930-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-29 EP claimed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US claimed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO claimed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US claimed
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-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-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
EP-2145877-B1 Aurora Kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2012-10-03 EP disclosed
WO-2008054956-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-05-08 WO disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO 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
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 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 (4 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-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 CDK9 78/4885PLK4 261/4885CHEK1 57/4885
US-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 CDK9 99/4885PLK4 308/4885CHEK1 52/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 CDK9 78/4885PLK4 261/4885CHEK1 57/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 CDK9 99/4885PLK4 308/4885CHEK1 52/4885

“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.