SCHEMBL3770077

SCHEMBL3770077

CCn1cc(Nc2ncc(F)c(N[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C(N)=O)n2)cn1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.64
AURKB Q96GD4 8/20 0.64
JAK3 P52333 12/20 0.54
JAK2 O60674 10/20 0.54
JAK1 P23458 8/20 0.52

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
SCHEMBL3780194 1.00 KDR (0.64) KDRAURKBJAK3JAK2JAK1
SCHEMBL3770124 0.90 KDR (0.63) KDRAURKBJAK3JAK2JAK1
SCHEMBL3767842 0.90 KDR (0.63) KDRAURKBJAK3JAK2JAK1
SCHEMBL3780198 0.90 AURKB (0.61) KDRAURKBJAK1
SCHEMBL3778443 0.90 AURKB (0.61) KDRAURKBJAK1
SCHEMBL3773513 0.90 KDR (0.80) KDRAURKBJAK3JAK2JAK1
SCHEMBL3772988 0.90 KDR (0.80) KDRAURKBJAK3JAK2JAK1
SCHEMBL3778188 0.90 KDR (0.80) KDRAURKBJAK3JAK2JAK1
SCHEMBL3772780 0.90 KDR (0.80) KDRAURKBJAK3JAK2JAK1
SCHEMBL3780202 0.89 AURKB (0.80) KDRAURKBJAK3JAK2

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 3/4885JAK3 187/4885

“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.