SCHEMBL1362779

SCHEMBL1362779

COc1cc(Cc2cc3cccnc3[nH]2)cc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.55
CCNB2 O95067 1/20 0.55
CDK1 P06493 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
FGFR1 P11362 2/20 0.45
FGFR4 P22455 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR3 P22607 1/20 0.45
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
DAO P14920 1/20 0.43
GLO1 Q04760 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
NR3C1 P04150 1/20 0.42
NR3C2 P08235 1/20 0.42

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
SCHEMBL2113619 0.80 DRD2 (0.53) RIPK1CCNE1CDK2DAODRD2
SCHEMBL858915 0.79 RIPK1 (0.56) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL13138496 0.77 CCNB2 (0.58) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL20005178 0.77 PRMT5 (0.47) RIPK1CCNE1CDK2DAODRD2
SCHEMBL1939638 0.75 DRD2 (0.50) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL878696 0.72 FGFR4 (0.81) FGFR1FGFR4CDK2DRD2DRD4
SCHEMBL7411386 0.72 DRD2 (0.49) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL858289 0.72 TDP1 (0.54) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL25230913 0.72 DRD2 (0.50) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL4589681 0.72 RIPK1 (0.58) RIPK1CCNB2CDK1CCNB1CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696920-B1 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON INC (US) 2014-10-29 EP disclosed
US-8067434-B2 Compounds and methods for development of Ret modulators PLEXXIKON INC. (US) 2011-11-29 US disclosed
US-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 US disclosed
EP-1696920-A4 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON INC (US) 2009-09-02 EP disclosed
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US disclosed
US-20070066641-A1 Compounds and methods for development of RET modulators PLEXXIKON, INC. 2007-03-22 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 US disclosed
EP-1696920-A2 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON, INC. (US) 2006-09-06 EP disclosed
WO-2005062795-A2 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON, INC. (US) 2005-07-14 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-20100324065-A1 Compounds and methods for development of Ret Modulators RET, GFRA3, GFRA1 RIPK1 311/4885CCNB2 4387/4885CDK1 1942/4885
US-20070066641-A1 Compounds and methods for development of RET modulators RET, FGFR1, FGFR3 RIPK1 232/4885CCNB2 3811/4885CDK1 1184/4885
US-20070049615-A1 Compounds and methods for development of Ret modulators RET, GFRA1, GFRA3 RIPK1 224/4885CCNB2 4474/4885CDK1 2085/4885

“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.