SCHEMBL644707

SCHEMBL644707

COC(=O)c1cc(I)c2c(c1)[nH]c1ncc(C)cc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
DYRK1A Q13627 1/20 0.39
KIF11 P52732 1/20 0.36
PARP1 P09874 2/20 0.36
CSNK2A1 P68400 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NEK1 Q96PY6 2/20 0.35
AXL P30530 1/20 0.34
SGK1 O00141 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
NR4A2 P43354 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL10253662 0.87 ATM (0.43) ATMDYRK1AKIF11PARP1CSNK2A1
SCHEMBL645138 0.85 ATM (0.41) ATMDYRK1AKIF11PARP1CSNK2A1
SCHEMBL4414473 0.77 NUAK1 (0.39) ATMKDM4EAXLNR4A2
SCHEMBL646277 0.74 TTR (0.38)
SCHEMBL645340 0.72 PLK4 (0.53) DYRK1ANEK1AXLSGK1CAMKK2
SCHEMBL17442622 0.70 ATM (0.51) ATMPARP1KDM4EALDH1A1HPGD
SCHEMBL4417264 0.70 PDK2 (0.38) ATMDYRK1AKDM4EALDH1A1HPGD
SCHEMBL4884755 0.69 ATR (0.41) ATMDYRK1AKIF11PARP1CSNK2A1
SCHEMBL2730016 0.69 TDO2 (0.50) ATMDYRK1AKIF11PARP1CSNK2A1
SCHEMBL4423714 0.68 PDK2 (0.37) KDM4E

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 36 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-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-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
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
EP-2081930-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-29 EP 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
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 (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 ATM 201/4885DYRK1A 823/4885KIF11 1449/4885
US-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 ATM 216/4885DYRK1A 737/4885KIF11 1200/4885
US-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 ATM 201/4885DYRK1A 823/4885KIF11 1449/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 ATM 216/4885DYRK1A 737/4885KIF11 1200/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 ATM 201/4885DYRK1A 823/4885KIF11 1449/4885

“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.