SCHEMBL3532669

SCHEMBL3532669

O=C(OC(=O)C(F)(F)F)C1CCN(Cc2cccc(Nc3ncns3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.39
SCN8A Q9UQD0 2/20 0.37
AURKA O14965 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CHRM4 P08173 1/20 0.35
JAK2 O60674 2/20 0.34
KCNH2 Q12809 2/20 0.34
JAK3 P52333 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LCK P06239 1/20 0.34
AURKB Q96GD4 2/20 0.33
INCENP Q9NQS7 2/20 0.33

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
Trifluoroacetic Acid SCHEMBL3532665 0.81 GPR6 (0.38) ACKR3SCN8AAURKAL3MBTL1JAK2
Trifluoroacetic Acid SCHEMBL3535511 0.74 AURKA (0.49) AURKALCKAURKBINCENP
SCHEMBL3535327 0.74 AURKA (0.58) AURKAALDH1A1KDM4E
SCHEMBL3533406 0.73 ABL1 (0.47) AURKAALDH1A1KDM4E
SCHEMBL3527049 0.72 AURKA (0.68) AURKAALDH1A1KDM4EAURKBINCENP
SCHEMBL3537132 0.72 AURKA (0.54) SCN8AAURKALCKAURKB
Trifluoroacetic Acid SCHEMBL3533123 0.72 PTGDR2 (0.40) SCN8AAURKAAURKBINCENP
SCHEMBL3531365 0.71 AURKA (0.51) AURKAALDH1A1KDM4ELCKAURKB
Trifluoroacetic Acid SCHEMBL3529803 0.71 AURKA (0.51) SCN8AAURKAJAK2KCNH2JAK3
SCHEMBL3533772 0.70 KDM4E (0.45) AURKAL3MBTL1ALDH1A1KDM4E

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 ACKR3 775/4885SCN8A 2964/4885AURKA 1/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB ACKR3 775/4885SCN8A 2964/4885AURKA 1/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB ACKR3 775/4885SCN8A 2964/4885AURKA 1/4885

“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.