SCHEMBL3777812

SCHEMBL3777812

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 1.00
AURKB Q96GD4 19/20 1.00
LRRK2 Q5S007 1/20 0.57
AURKA O14965 1/20 0.56
LCK P06239 1/20 0.56
PDGFRA P16234 1/20 0.56
FGFR2 P21802 1/20 0.56
WEE1 P30291 1/20 0.56
FLT3 P36888 1/20 0.56
SYK P43405 1/20 0.56
GSK3B P49841 1/20 0.56
PRKCE Q02156 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
SCHEMBL3770196 1.00 KDR (1.00) KDRAURKBLRRK2AURKALCK
SCHEMBL3780241 0.90 KDR (0.81) KDRAURKB
SCHEMBL3776042 0.90 KDR (0.81) KDRAURKB
SCHEMBL3780202 0.88 AURKB (0.80) KDRAURKBLRRK2AURKALCK
SCHEMBL3775176 0.88 AURKB (0.80) KDRAURKBLRRK2AURKALCK
SCHEMBL3773548 0.87 AURKB (0.77) KDRAURKBAURKA
SCHEMBL3766997 0.87 AURKB (0.77) KDRAURKBAURKA
SCHEMBL3783087 0.86 AURKB (1.00) KDRAURKBAURKALCKPDGFRA
SCHEMBL3774127 0.86 AURKB (1.00) KDRAURKBAURKALCKPDGFRA
SCHEMBL3775089 0.86 AURKB (1.00) 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 3/4885LRRK2 1841/4885

“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.