SCHEMBL3529266

SCHEMBL3529266

CN(C)C(=O)c1cc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3F)CC2)nc(Nc2cc[nH]n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.55
AURKB Q96GD4 2/20 0.44
P2RX7 Q99572 3/20 0.37
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PARP1 P09874 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 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
Hydrochloric Acid SCHEMBL3533579 0.99 AURKA (0.54) AURKAAURKBP2RX7ALDH1A1ALOX15
SCHEMBL27718223 0.90 AURKA (0.56) AURKAAURKBP2RX7ALDH1A1ALOX15
SCHEMBL3532828 0.89 AURKA (0.46) AURKAAURKB
SCHEMBL13072131 0.89 AURKA (0.42) AURKAAURKBALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL3535948 0.88 AURKA (0.44) AURKAAURKB
Trifluoroacetic Acid SCHEMBL3526834 0.88 AURKA (0.53) AURKAAURKBP2RX7ALDH1A1ALOX15
Trifluoroacetic Acid SCHEMBL3531210 0.86 AURKA (0.53) AURKAAURKBP2RX7ALDH1A1ALOX15
SCHEMBL3526135 0.86 AURKA (0.73) AURKAAURKBP2RX7ALDH1A1ALOX15
Trifluoroacetic Acid SCHEMBL3532360 0.85 AURKA (0.52) AURKAAURKBP2RX7ALDH1A1ALOX15
SCHEMBL3531410 0.85 AURKA (0.57) AURKAAURKBP2RX7ALDH1A1ALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813609-B1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING SELECTIVE AURORA-A INHIBITORY EFFECT MSD KK (JP) 2013-06-19 EP disclosed
US-7834018-B2 aurora kinase inhibitors; 2-(thiazol-2-ylamino)pyridine compounds as antitumor agents; 6-((4-(3-chloro-2-fluorobenzoyl)piperazin-1-yl)methyl)-N-thiazol-2-ylpyridin-2-amine for example BANYU PHARMACEUTICAL CO., LTD (JP) 2010-11-16 US disclosed
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2009-06-11 US disclosed
US-7491720-B2 Aminopyridine derivatives having Aurora A selective inhibitory action BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
EP-1813609-A2 NOVEL AMINOPYRIDINE DERIVATIVES HAVING SELECTIVE AURORA-A INHIBITORY EFFECT BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP 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-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885P2RX7 2461/4885

“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.