SCHEMBL3779484

SCHEMBL3779484

NC(=O)[C@@H]1[C@H](Nc2nc(Nc3cnn(CCN4CCOCC4)c3)ncc2Cl)[C@H]2C=C[C@@H]1C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 1.00
AURKB Q96GD4 18/20 1.00
FLT3 P36888 2/20 0.58
AURKA O14965 1/20 0.58
LCK P06239 1/20 0.58
PDGFRA P16234 1/20 0.58
FGFR2 P21802 1/20 0.58
WEE1 P30291 1/20 0.58
SYK P43405 1/20 0.58
GSK3B P49841 1/20 0.58
PRKCE Q02156 1/20 0.58
ALK Q9UM73 2/20 0.56
NUAK1 O60285 1/20 0.56
CHEK2 O96017 1/20 0.56
INSR P06213 1/20 0.56
FES P07332 1/20 0.56
FER P16591 1/20 0.56
FLT4 P35916 1/20 0.56
MAPK8 P45983 1/20 0.56
RPS6KA3 P51812 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
SCHEMBL3776053 1.00 KDR (1.00) KDRAURKBFLT3AURKALCK
SCHEMBL3773762 0.94 KDR (0.88) KDRAURKBFLT3AURKALCK
SCHEMBL3780852 0.94 KDR (0.88) KDRAURKBFLT3AURKALCK
SCHEMBL3782445 0.93 KDR (0.87) KDRAURKBFLT3AURKALCK
SCHEMBL3782260 0.93 KDR (0.87) KDRAURKBFLT3AURKALCK
SCHEMBL3770239 0.92 KDR (0.85) KDRAURKBFLT3AURKALCK
SCHEMBL1703507 0.92 KDR (0.85) KDRAURKBFLT3AURKALCK
SCHEMBL3779901 0.92 KDR (0.85) KDRAURKBFLT3AURKALCK
SCHEMBL1703334 0.91 AURKB (0.83) KDRAURKBFLT3AURKALCK
SCHEMBL3779676 0.91 AURKB (0.83) KDRAURKBFLT3AURKALCK

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 3/4885FLT3 20/4885

“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.