SCHEMBL645163

SCHEMBL645163

Cc1cnc2[nH]c3c(C)c(C(=O)NC4CCN(C)CC4)cc(-c4cccc(C(=O)NC5CC5)c4)c3c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.78
PLK4 O00444 1/20 0.78
CHEK1 O14757 1/20 0.78
AURKA O14965 1/20 0.78
EPHB6 O15197 1/20 0.78
RPS6KA4 O75676 1/20 0.78
STK16 O75716 1/20 0.78
STK10 O94804 1/20 0.78
ABL1 P00519 1/20 0.78
EGFR P00533 1/20 0.78
NTRK1 P04629 1/20 0.78
LCK P06239 1/20 0.78
FYN P06241 1/20 0.78
YES1 P07947 1/20 0.78
LYN P07948 1/20 0.78
RET P07949 1/20 0.78
HCK P08631 1/20 0.78
PDGFRB P09619 1/20 0.78
BCR P11274 1/20 0.78
FGFR1 P11362 1/20 0.78

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
SCHEMBL2620584 0.90 FLT3 (0.78) ACVR1PLK4CHEK1AURKAEPHB6
Tak-901 SCHEMBL645679 0.88 FLT3 (1.00) ACVR1PLK4CHEK1AURKAEPHB6
Tak-901 SCHEMBL29551559 0.88 FLT3 (1.00) ACVR1PLK4CHEK1AURKAEPHB6
SCHEMBL13283255 0.88 FLT3 (0.74) ACVR1PLK4CHEK1AURKAEPHB6
Tak-901 SCHEMBL29478939 0.88 FLT3 (1.00) ACVR1PLK4CHEK1AURKAEPHB6
Tak-901 SCHEMBL29389353 0.88 FLT3 (1.00) ACVR1PLK4CHEK1AURKAEPHB6
SCHEMBL23289019 0.87 CDK9 (0.77) ACVR1PLK4CHEK1AURKAEPHB6
SCHEMBL647030 0.87 ABL1 (0.73) ACVR1PLK4CHEK1AURKAEPHB6
SCHEMBL644522 0.87 FLT3 (0.85) ACVR1PLK4CHEK1AURKAEPHB6
Tak-901 SCHEMBL2123148 0.87 FLT3 (0.98) ACVR1PLK4CHEK1AURKAEPHB6

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 52 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
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-2145877-A2 Aurora Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-01-20 EP 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
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP 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
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 WO claimed
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
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 ACVR1 1125/4885PLK4 261/4885CHEK1 57/4885
US-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 ACVR1 1337/4885PLK4 308/4885CHEK1 52/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 ACVR1 1125/4885PLK4 261/4885CHEK1 57/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 ACVR1 1337/4885PLK4 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.