SCHEMBL645590

SCHEMBL645590

CCS(=O)(=O)c1cccc(-c2cccc3[nH]c4ncccc4c23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
BRD4 O60885 3/20 0.45
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
EPHB6 O15197 1/20 0.41
RPS6KA4 O75676 1/20 0.41
STK16 O75716 1/20 0.41
STK10 O94804 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
YES1 P07947 1/20 0.41
LYN P07948 1/20 0.41
RET P07949 1/20 0.41
HCK P08631 1/20 0.41
PDGFRB P09619 1/20 0.41

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
SCHEMBL644174 0.88 NR1H2 (0.45) NR1H2NR1H3SYKTBK1CYP2C9
SCHEMBL645229 0.85 NR1H2 (0.47) NR1H2NR1H3BRD4PLK4CHEK1
SCHEMBL4421190 0.84 AURKA (0.44) NR1H2NR1H3BRD4PLK4CHEK1
SCHEMBL645677 0.84 PLK4 (0.46) NR1H2NR1H3BRD4PLK4CHEK1
SCHEMBL645846 0.83 BRD4 (0.49) BRD4SYKCYP3A4MEN1KMT2A
SCHEMBL645103 0.81 BRD4 (0.49) BRD4SYKIKBKBCHUK
SCHEMBL2612662 0.81 CHUK (0.48) BRD4FYNGSK3BPTK2CYP1A2
SCHEMBL644518 0.79 LRRK2 (0.46) CHEK1ABL1NTRK1LCKFYN
SCHEMBL3888790 0.78 UTS2R (0.53) NR1H2NR1H3BRD4PLK4CHEK1
SCHEMBL646449 0.77 GABRA1 (0.47) PLK4AURKARETFGFR1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133349-B1 Kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2011-01-12 EP claimed
US-20100190816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US claimed
EP-2133349-A1 Kinase inhibitors Takeda San Diego, Inc. (US) 2009-12-16 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-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
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US 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
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
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 (3 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 NR1H2 3849/4885NR1H3 3521/4885BRD4 804/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 NR1H2 3849/4885NR1H3 3521/4885BRD4 804/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 NR1H2 3919/4885NR1H3 3722/4885BRD4 744/4885

“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.