SCHEMBL252684

SCHEMBL252684

O=C(NCCO)Nc1cn2nc(I)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CG P48736 1/20 0.39
NAMPT P43490 2/20 0.37
KDR P35968 4/20 0.36
PDGFRB P09619 2/20 0.36
CSNK1D P48730 4/20 0.35
CSNK1E P49674 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
RIPK1 Q13546 3/20 0.34
TTK P33981 1/20 0.33

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
SCHEMBL3486298 0.79 PIK3CA (0.40) PIK3CAKDRCSNK1DCSNK1E
SCHEMBL2518350 0.78 PIK3CA (0.49) PIK3CAPIK3CDPIK3CGKDRRIPK1
SCHEMBL2517479 0.77 PIK3CG (0.43) PIK3CAPIK3CGKDRCSNK1DCSNK1E
SCHEMBL245728 0.75 KDR (0.56) KDRPDGFRBCSNK1DCSNK1E
SCHEMBL2516313 0.75 PIK3CG (0.45) PIK3CAPIK3CGNAMPTKDRCSNK1D
SCHEMBL3500440 0.74 RIPK1 (0.43) PIK3CACSNK1DCSNK1ERIPK1
SCHEMBL4026143 0.74 CSNK1D (0.45) PIK3CAKDRCSNK1DKDM4EALDH1A1
SCHEMBL2516569 0.74 PIK3CG (0.46) PIK3CAPIK3CDPIK3CGCSNK1DCSNK1E
SCHEMBL2514336 0.73 TTK (0.43) PIK3CGNAMPTKDRCSNK1DCSNK1E
SCHEMBL12664726 0.73 PIK3CA (0.57) PIK3CAPIK3CDPIK3CGCSNK1DCSNK1E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130315895-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-28 US disclosed
EP-2588107-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET Takeda Pharmaceutical Company Limited (JP) 2013-05-08 EP disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed
EP-2313407-A1 cMET INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-04-27 EP disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20130315895-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET HGF, MET, HGFAC PIK3CA 2914/4885PIK3CD 3572/4885PIK3CG 3403/4885
US-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT PIK3CA 543/4885PIK3CD 631/4885PIK3CG 621/4885

“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.