SCHEMBL3782467

SCHEMBL3782467

NC(=O)[C@H]1[C@@H](Nc2nc(Nc3cnn(CCN4CCCCC4)c3)ncc2Br)[C@@H]2C=C[C@H]1C2

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 19/20 0.73
KDR P35968 18/20 0.73
AURKA O14965 1/20 0.73
LCK P06239 1/20 0.73
PDGFRA P16234 1/20 0.73
FGFR2 P21802 1/20 0.73
WEE1 P30291 1/20 0.73
FLT3 P36888 1/20 0.73
SYK P43405 1/20 0.73
GSK3B P49841 1/20 0.73
PRKCE Q02156 1/20 0.73
MAP3K7 O43318 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.54

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
SCHEMBL3770078 1.00 AURKB (0.73) AURKBKDRAURKALCKPDGFRA
SCHEMBL3772251 0.99 AURKB (0.74) AURKBKDRAURKALCKPDGFRA
SCHEMBL3779524 0.99 AURKB (0.74) AURKBKDRAURKALCKPDGFRA
SCHEMBL3775043 0.93 AURKB (0.75) AURKBKDRAURKALCKPDGFRA
SCHEMBL3779676 0.93 AURKB (0.83) AURKBKDRAURKALCKPDGFRA
SCHEMBL3772714 0.93 AURKB (0.83) AURKBKDRAURKALCKPDGFRA
SCHEMBL1703334 0.93 AURKB (0.83) AURKBKDRAURKALCKPDGFRA
SCHEMBL3782445 0.91 KDR (0.87) AURKBKDRAURKALCKPDGFRA
SCHEMBL3782260 0.91 KDR (0.87) AURKBKDRAURKALCKPDGFRA
SCHEMBL1704319 0.90 KDR (0.74) 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.