SCHEMBL3770331

SCHEMBL3770331

NC(=O)[C@H]1[C@@H](Nc2nc(Nc3cn[nH]c3)ncc2F)[C@@H]2C=C[C@H]1C2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.69
AURKB Q96GD4 16/20 0.69
IRAK4 Q9NWZ3 4/20 0.59
AURKA O14965 2/20 0.59
LCK P06239 2/20 0.59
PDGFRA P16234 2/20 0.59
FLT3 P36888 2/20 0.59
SYK P43405 2/20 0.59
CDC7 O00311 1/20 0.59
PLK4 O00444 1/20 0.59
CHEK1 O14757 1/20 0.59
DCLK1 O15075 1/20 0.59
PDPK1 O15530 1/20 0.59
DAPK3 O43293 1/20 0.59
JAK2 O60674 1/20 0.59
ROCK2 O75116 1/20 0.59
PRKD3 O94806 1/20 0.59
MAP4K4 O95819 1/20 0.59
PAK4 O96013 1/20 0.59
CHEK2 O96017 1/20 0.59

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
SCHEMBL3769817 1.00 KDR (0.69) KDRAURKBIRAK4AURKALCK
SCHEMBL1000873 0.83 KDR (0.70) KDRAURKBIRAK4AURKALCK
SCHEMBL1000875 0.83 KDR (0.70) KDRAURKBIRAK4AURKALCK
SCHEMBL3772758 0.82 AURKB (1.00) KDRAURKBIRAK4AURKALCK
SCHEMBL3779854 0.82 AURKB (1.00) KDRAURKBIRAK4AURKALCK
SCHEMBL1002524 0.81 KDR (0.68) KDRAURKBIRAK4AURKALCK
SCHEMBL1002521 0.81 KDR (0.68) KDRAURKBIRAK4AURKALCK
SCHEMBL3553074 0.81 KDR (0.68) KDRAURKBIRAK4AURKALCK
SCHEMBL1001585 0.81 KDR (0.67) KDRAURKBIRAK4AURKALCK
SCHEMBL1001583 0.81 KDR (0.67) KDRAURKBIRAK4AURKALCK

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 3/4885IRAK4 949/4885

“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.