SCHEMBL3780182

SCHEMBL3780182

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.75
AURKB Q96GD4 19/20 0.75
AURKA O14965 2/20 0.61
LCK P06239 2/20 0.61
PDGFRA P16234 2/20 0.61
FLT3 P36888 2/20 0.61
SYK P43405 2/20 0.61
FGFR2 P21802 1/20 0.61
WEE1 P30291 1/20 0.61
GSK3B P49841 1/20 0.61
PRKCE Q02156 1/20 0.61
CDC7 O00311 1/20 0.56
PLK4 O00444 1/20 0.56
CHEK1 O14757 1/20 0.56
DCLK1 O15075 1/20 0.56
PDPK1 O15530 1/20 0.56
DAPK3 O43293 1/20 0.56
JAK2 O60674 1/20 0.56
ROCK2 O75116 1/20 0.56
PRKD3 O94806 1/20 0.56

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
SCHEMBL3773371 1.00 KDR (0.75) KDRAURKBAURKALCKPDGFRA
SCHEMBL3779940 0.90 AURKB (0.81) KDRAURKBAURKALCKPDGFRA
SCHEMBL3772727 0.90 KDR (0.81) KDRAURKBAURKALCKPDGFRA
SCHEMBL3767091 0.90 KDR (0.81) KDRAURKBAURKALCKPDGFRA
SCHEMBL3772701 0.90 KDR (0.77) KDRAURKBAURKALCKPDGFRA
SCHEMBL3772225 0.90 KDR (0.77) KDRAURKBAURKALCKPDGFRA
SCHEMBL3775293 0.87 KDR (0.81) KDRAURKBAURKALCKPDGFRA
SCHEMBL3781077 0.87 KDR (0.81) KDRAURKBAURKALCKPDGFRA
SCHEMBL3782985 0.87 KDR (0.81) KDRAURKBAURKALCKPDGFRA
SCHEMBL3775305 0.87 KDR (0.81) KDRAURKBAURKALCKPDGFRA

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 KDR 38/4885AURKB 3/4885AURKA 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.