SCHEMBL341769

SCHEMBL341769

Cc1cc(Nc2ccn[nH]2)nc(N2C[C@H](NC(=O)OC(C)(C)C)C[C@H](C(=O)O)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.43
PDPK1 O15530 4/20 0.43
AURKB Q96GD4 4/20 0.43
SYK P43405 4/20 0.43
BTK Q06187 4/20 0.39
EIF2AK4 Q9P2K8 1/20 0.38
PDE10A Q9Y233 3/20 0.37
MAP4K4 O95819 2/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
JAK3 P52333 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL341768 1.00 AURKA (0.43) AURKAPDPK1AURKBSYKBTK
SCHEMBL341767 1.00 AURKA (0.43) AURKAPDPK1AURKBSYKBTK
SCHEMBL342274 0.93 AURKA (0.42) AURKAPDPK1AURKBSYKBTK
SCHEMBL342276 0.93 AURKA (0.42) AURKAPDPK1AURKBSYKBTK
SCHEMBL342275 0.93 AURKA (0.42) AURKAPDPK1AURKBSYKBTK
SCHEMBL342120 0.87 AURKA (0.38) AURKAPDPK1AURKBSYKBTK
SCHEMBL342540 0.87 AURKA (0.38) AURKAPDPK1AURKBSYKBTK
SCHEMBL342121 0.87 AURKA (0.38) AURKAPDPK1AURKBSYKBTK
SCHEMBL342119 0.87 AURKA (0.38) AURKAPDPK1AURKBSYKBTK
SCHEMBL342541 0.87 AURKA (0.38) AURKAPDPK1AURKBSYKBTK

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-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 US disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 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-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB AURKA 1/4885PDPK1 1729/4885AURKB 3/4885

“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.