SCHEMBL3772297

SCHEMBL3772297

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

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 10/20 0.78
KDR P35968 7/20 0.78
JAK1 P23458 11/20 0.55
AURKA O14965 7/20 0.55
JAK2 O60674 9/20 0.54
FLT3 P36888 4/20 0.54
TYK2 P29597 2/20 0.54
JAK3 P52333 2/20 0.54

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
SCHEMBL3769576 1.00 AURKB (0.78) AURKBKDRJAK1AURKAJAK2
SCHEMBL3773560 0.88 AURKB (1.00) AURKBKDRJAK1AURKAJAK2
SCHEMBL1703631 0.88 AURKB (1.00) AURKBKDRJAK1AURKAJAK2
SCHEMBL3779618 0.86 KDR (0.59) AURKBKDRJAK1AURKAJAK2
SCHEMBL3770047 0.86 KDR (0.59) AURKBKDRJAK1AURKAJAK2
SCHEMBL3778135 0.86 AURKB (1.00) AURKBKDRJAK1AURKAJAK2
SCHEMBL1703907 0.86 AURKB (1.00) AURKBKDRJAK1AURKAJAK2
SCHEMBL1703468 0.85 AURKB (0.58) AURKBKDRJAK1AURKAJAK2
SCHEMBL4281514 0.83 AURKB (0.54) AURKBKDRAURKAJAK2JAK3
SCHEMBL578664 0.83 AURKB (0.54) AURKBKDRAURKAJAK2JAK3

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 2 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 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 38/4885JAK1 131/4885

“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.