SCHEMBL2612682

SCHEMBL2612682

CCS(=O)(=O)c1cccc(-c2cc(C(=O)N3CCOCC3)c(C)c3[nH]c4ncc(C)cc4c23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.68
PLK4 O00444 2/20 0.68
FGFR1 P11362 2/20 0.68
MARK3 P27448 2/20 0.68
FLT3 P36888 2/20 0.68
AURKB Q96GD4 2/20 0.68
MAP4K5 Q9Y4K4 2/20 0.68
CHEK1 O14757 1/20 0.68
AURKA O14965 1/20 0.68
EPHB6 O15197 1/20 0.68
RPS6KA4 O75676 1/20 0.68
STK16 O75716 1/20 0.68
STK10 O94804 1/20 0.68
ABL1 P00519 1/20 0.68
EGFR P00533 1/20 0.68
NTRK1 P04629 1/20 0.68
LCK P06239 1/20 0.68
FYN P06241 1/20 0.68
YES1 P07947 1/20 0.68
LYN P07948 1/20 0.68

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
SCHEMBL646306 0.93 PLK4 (0.71) CDK9PLK4FGFR1MARK3FLT3
SCHEMBL2612678 0.91 BTK (0.76) CDK9PLK4FGFR1MARK3FLT3
SCHEMBL13803579 0.90 PLK4 (0.73) CDK9PLK4FGFR1MARK3FLT3
SCHEMBL2125065 0.90 BTK (0.72) CDK9PLK4FGFR1MARK3FLT3
SCHEMBL2121951 0.89 ABL1 (0.65) CDK9PLK4FGFR1MARK3FLT3
SCHEMBL2122628 0.88 PLK4 (0.70) CDK9PLK4FGFR1MARK3FLT3
SCHEMBL648262 0.87 CDK9 (0.67) CDK9PLK4FGFR1MARK3FLT3
SCHEMBL13652148 0.87 PLK4 (0.52) CDK9PLK4FGFR1MARK3FLT3
SCHEMBL2123042 0.87 PTK2 (0.68) CDK9PLK4FGFR1MARK3FLT3
SCHEMBL646073 0.86 PLK4 (0.70) CDK9PLK4FGFR1MARK3FLT3

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 22 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-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
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 CDK9 99/4885PLK4 308/4885FGFR1 588/4885
US-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 CDK9 78/4885PLK4 261/4885FGFR1 615/4885
US-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 CDK9 99/4885PLK4 308/4885FGFR1 588/4885
US-20090312288-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 CDK9 99/4885PLK4 308/4885FGFR1 588/4885
US-20100160633-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 CDK9 99/4885PLK4 308/4885FGFR1 588/4885
US-20100120717-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 CDK9 84/4885PLK4 318/4885FGFR1 496/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 CDK9 99/4885PLK4 308/4885FGFR1 588/4885

“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.