SCHEMBL2122804

SCHEMBL2122804

CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(CCO)CC3)c(C)c3[nH]c4ncc(Cl)cc4c23)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.75
ACVR1 Q04771 2/20 0.75
PLK4 O00444 1/20 0.75
CHEK1 O14757 1/20 0.75
AURKA O14965 1/20 0.75
EPHB6 O15197 1/20 0.75
RPS6KA4 O75676 1/20 0.75
STK16 O75716 1/20 0.75
STK10 O94804 1/20 0.75
ABL1 P00519 1/20 0.75
EGFR P00533 1/20 0.75
NTRK1 P04629 1/20 0.75
LCK P06239 1/20 0.75
FYN P06241 1/20 0.75
YES1 P07947 1/20 0.75
LYN P07948 1/20 0.75
RET P07949 1/20 0.75
HCK P08631 1/20 0.75
PDGFRB P09619 1/20 0.75
BCR P11274 1/20 0.75

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
SCHEMBL2123127 0.93 TGFBR1 (0.65) TGFBR1ACVR1PLK4CHEK1AURKA
SCHEMBL2124762 0.93 TGFBR1 (0.86) TGFBR1ACVR1PLK4CHEK1AURKA
SCHEMBL2612728 0.93 PLK4 (0.86) TGFBR1ACVR1PLK4CHEK1AURKA
SCHEMBL2123813 0.91 PLK4 (0.69) TGFBR1ACVR1PLK4CHEK1AURKA
SCHEMBL645470 0.86 PLK4 (0.87) TGFBR1ACVR1PLK4CHEK1AURKA
SCHEMBL2122506 0.86 TGFBR1 (0.75) TGFBR1ACVR1PLK4CHEK1AURKA
Tak-901 SCHEMBL645679 0.86 FLT3 (1.00) TGFBR1ACVR1PLK4CHEK1AURKA
Tak-901 SCHEMBL29389353 0.86 FLT3 (1.00) TGFBR1ACVR1PLK4CHEK1AURKA
Tak-901 SCHEMBL29551559 0.86 FLT3 (1.00) TGFBR1ACVR1PLK4CHEK1AURKA
Tak-901 SCHEMBL29478939 0.86 FLT3 (1.00) TGFBR1ACVR1PLK4CHEK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145877-B1 Aurora Kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2012-10-03 EP claimed
EP-2145877-A2 Aurora Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-01-20 EP claimed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US claimed
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
EP-2145877-B1 Aurora Kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2012-10-03 EP 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-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
EP-2081930-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-29 EP disclosed
EP-2079696-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-22 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-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
WO-2008054956-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-05-08 WO 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

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-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 TGFBR1 3462/4885ACVR1 1337/4885PLK4 308/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 TGFBR1 3462/4885ACVR1 1337/4885PLK4 308/4885

“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.