SCHEMBL3770047

SCHEMBL3770047

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2cnn(C3CCNCC3)c2)ncc1Cl

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.59
AURKB Q96GD4 5/20 0.59
FLT4 P35916 6/20 0.52
JAK1 P23458 4/20 0.52
JAK3 P52333 3/20 0.52
AURKA O14965 1/20 0.52
NUAK1 O60285 2/20 0.50
JAK2 O60674 3/20 0.44
TYRO3 Q06418 2/20 0.44
AXL P30530 1/20 0.44
MERTK Q12866 1/20 0.44

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
SCHEMBL3779618 1.00 KDR (0.59) KDRAURKBFLT4JAK1JAK3
SCHEMBL3779434 0.88 KDR (0.73) KDRAURKBFLT4JAK1JAK3
SCHEMBL3773825 0.88 KDR (0.73) KDRAURKBFLT4JAK1JAK3
SCHEMBL3772297 0.86 AURKB (0.78) KDRAURKBJAK1JAK3AURKA
SCHEMBL3769576 0.86 AURKB (0.78) KDRAURKBJAK1JAK3AURKA
SCHEMBL1703468 0.80 AURKB (0.58) KDRAURKBJAK1JAK3AURKA
SCHEMBL3585653 0.80 SYK (0.49) KDRAURKBJAK1JAK3JAK2
SCHEMBL4281514 0.78 AURKB (0.54) KDRAURKBJAK3AURKAJAK2
SCHEMBL578664 0.78 AURKB (0.54) KDRAURKBJAK3AURKAJAK2
SCHEMBL18604506 0.75 AURKA (0.75) KDRAURKBJAK1JAK3AURKA

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 3/4885FLT4 41/4885

“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.