SCHEMBL3780198

SCHEMBL3780198

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

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 19/20 0.61
KDR P35968 14/20 0.61
AURKA O14965 6/20 0.51
JAK1 P23458 1/20 0.50

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
SCHEMBL3778443 1.00 AURKB (0.61) AURKBKDRAURKAJAK1
SCHEMBL3767851 0.90 AURKB (0.75) AURKBKDRAURKAJAK1
SCHEMBL3770077 0.90 KDR (0.64) AURKBKDRJAK1
SCHEMBL3780194 0.90 KDR (0.64) AURKBKDRJAK1
SCHEMBL3773548 0.90 AURKB (0.77) AURKBKDRAURKAJAK1
SCHEMBL3766997 0.90 AURKB (0.77) AURKBKDRAURKAJAK1
SCHEMBL3767842 0.87 KDR (0.63) AURKBKDRJAK1
SCHEMBL3770124 0.87 KDR (0.63) AURKBKDRJAK1
SCHEMBL3780182 0.87 KDR (0.75) AURKBKDRAURKA
SCHEMBL3773371 0.87 KDR (0.75) AURKBKDRAURKA

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.