SCHEMBL645102

SCHEMBL645102

CCS(=O)(=O)c1cccc(-c2ccc(OCC3CCN(C)CC3)c3[nH]c4ncc(C#N)cc4c23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.53
EGFR P00533 2/20 0.53
PLK4 O00444 1/20 0.53
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
EPHB6 O15197 1/20 0.53
RPS6KA4 O75676 1/20 0.53
STK16 O75716 1/20 0.53
STK10 O94804 1/20 0.53
ABL1 P00519 1/20 0.53
NTRK1 P04629 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
YES1 P07947 1/20 0.53
LYN P07948 1/20 0.53
RET P07949 1/20 0.53
HCK P08631 1/20 0.53
PDGFRB P09619 1/20 0.53
BCR P11274 1/20 0.53
FGFR1 P11362 1/20 0.53

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
SCHEMBL13156827 0.93 NQO2 (0.46) NQO2EGFRPLK4CHEK1AURKA
SCHEMBL4850723 0.93 CDK9 (0.45) NQO2EGFRPLK4CHEK1AURKA
SCHEMBL646457 0.90 EGFR (0.65) NQO2EGFRPLK4CHEK1AURKA
SCHEMBL644163 0.89 AURKA (0.54) NQO2EGFRPLK4CHEK1AURKA
Hydrochloric Acid SCHEMBL644118 0.89 EGFR (0.64) NQO2EGFRPLK4CHEK1AURKA
SCHEMBL2122329 0.89 EGFR (0.54) NQO2EGFRPLK4CHEK1AURKA
Hydrochloric Acid SCHEMBL646338 0.89 AURKA (0.54) NQO2EGFRPLK4CHEK1AURKA
SCHEMBL647155 0.87 EGFR (0.52) NQO2EGFRPLK4CHEK1AURKA
SCHEMBL2612708 0.87 TBK1 (0.52) NQO2EGFRPLK4CHEK1AURKA
SCHEMBL643912 0.86 EGFR (0.62) NQO2EGFRPLK4CHEK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US claimed
EP-2145878-A2 Aurora Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-01-20 EP claimed
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP 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-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-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
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 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
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 (5 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 NQO2 1480/4885EGFR 378/4885PLK4 308/4885
US-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 NQO2 1636/4885EGFR 349/4885PLK4 261/4885
US-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 NQO2 1480/4885EGFR 378/4885PLK4 308/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 NQO2 1636/4885EGFR 349/4885PLK4 261/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 NQO2 1480/4885EGFR 378/4885PLK4 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.