SCHEMBL3775176

SCHEMBL3775176

Cn1cc(Nc2ncc(F)c(N[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C(N)=O)n2)cn1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 19/20 0.80
KDR P35968 19/20 0.80
AURKA O14965 2/20 0.58
LCK P06239 2/20 0.58
PDGFRA P16234 2/20 0.58
FLT3 P36888 2/20 0.58
SYK P43405 2/20 0.58
FGFR2 P21802 1/20 0.58
WEE1 P30291 1/20 0.58
GSK3B P49841 1/20 0.58
PRKCE Q02156 1/20 0.58
CDC7 O00311 1/20 0.48
PLK4 O00444 1/20 0.48
CHEK1 O14757 1/20 0.48
DCLK1 O15075 1/20 0.48
PDPK1 O15530 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKD3 O94806 1/20 0.48

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
SCHEMBL3780202 1.00 AURKB (0.80) AURKBKDRAURKALCKPDGFRA
SCHEMBL3770077 0.89 KDR (0.64) AURKBKDRJAK2JAK3
SCHEMBL3780194 0.89 KDR (0.64) AURKBKDRJAK2JAK3
SCHEMBL3777775 0.89 AURKB (1.00) AURKBKDRAURKALCKPDGFRA
SCHEMBL3783087 0.89 AURKB (1.00) AURKBKDRAURKALCKPDGFRA
SCHEMBL3774127 0.89 AURKB (1.00) AURKBKDRAURKALCKPDGFRA
SCHEMBL3775089 0.89 AURKB (1.00) AURKBKDRAURKALCKPDGFRA
SCHEMBL3770124 0.88 KDR (0.63) AURKBKDRJAK2TYK2JAK3
SCHEMBL3767842 0.88 KDR (0.63) AURKBKDRJAK2TYK2JAK3
SCHEMBL3770196 0.88 KDR (1.00) AURKBKDRAURKALCKPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426408-B2 Pyrimidine inhibitors of kinases ABBVIE INC. (US) 2013-04-23 US claimed
US-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2010-12-16 US claimed
US-8426408-B2 Pyrimidine inhibitors of kinases ABBVIE INC. (US) 2013-04-23 US disclosed
US-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2010-12-16 US 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 (1 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-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES AURKA, AURKC, AURKB AURKB 3/4885KDR 38/4885AURKA 1/4885

“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.