SCHEMBL3531867

SCHEMBL3531867

O=C(c1cccc(C(F)(F)F)c1F)N1CCCN(Cc2cncc(Nc3cc[nH]n3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.57
AURKB Q96GD4 2/20 0.42
PARP1 P09874 1/20 0.42
P2RX7 Q99572 9/20 0.39
CACNA1G O43497 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX2 P34913 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3475612 0.97 AURKA (0.60) AURKAAURKBPARP1P2RX7ALDH1A1
Hydrochloric Acid SCHEMBL3530557 0.96 AURKA (0.59) AURKAAURKBPARP1P2RX7ALDH1A1
SCHEMBL3527786 0.89 AURKA (0.51) AURKAAURKBP2RX7
SCHEMBL27718232 0.88 AURKA (0.51) AURKAP2RX7
SCHEMBL3526135 0.88 AURKA (0.73) AURKAAURKBPARP1P2RX7ALDH1A1
SCHEMBL27718209 0.85 AURKA (0.46) AURKAAURKBALDH1A1KDM4ELMNA
SCHEMBL3527226 0.85 AURKA (0.47) AURKAAURKB
Trifluoroacetic Acid SCHEMBL3535261 0.85 AURKA (0.49) AURKAP2RX7
Trifluoroacetic Acid SCHEMBL3529922 0.85 AURKA (0.69) AURKAAURKBPARP1P2RX7ALDH1A1
Trifluoroacetic Acid SCHEMBL3529887 0.84 AURKA (0.46) AURKAAURKBALDH1A1KDM4EMEN1

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 7 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
US-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action OHKUBO MITSURU 2008-01-31 US disclosed
EP-1813609-A2 NOVEL AMINOPYRIDINE DERIVATIVES HAVING SELECTIVE AURORA-A INHIBITORY EFFECT BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP disclosed
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2006-05-18 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 (3 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-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885PARP1 1559/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885PARP1 1559/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885PARP1 1559/4885

“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.