SCHEMBL3533747

SCHEMBL3533747

O=C(c1cccc(F)n1)N1CCN(Cc2cccc(Nc3ncc(Br)s3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
NTRK1 P04629 11/20 0.42
CDK2 P24941 4/20 0.39
FAAH O00519 1/20 0.39
ITK Q08881 1/20 0.39
MET P08581 2/20 0.38
KDR P35968 2/20 0.38
JAK2 O60674 1/20 0.37
KCNH2 Q12809 1/20 0.37
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
IGF1R P08069 2/20 0.36

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
SCHEMBL3528812 0.86 NTRK1 (0.46) AURKANTRK1CDK2ITKMET
SCHEMBL3535774 0.85 NTRK1 (0.49) NTRK1FAAHITKKDR
SCHEMBL3533969 0.85 AURKA (0.52) AURKANTRK1CDK2FAAHITK
SCHEMBL3529654 0.84 AURKA (0.49) AURKANTRK1CDK2FAAHITK
SCHEMBL3528173 0.77 CHEK1 (0.47) KDRJAK2KCNH2
SCHEMBL3531462 0.75 CYP2D6 (0.46) AURKANTRK1ITKKDR
SCHEMBL1704873 0.74 AURKA (0.54) AURKANTRK1JAK2KCNH2
SCHEMBL1704576 0.74 AURKA (0.54) AURKANTRK1JAK2KCNH2
SCHEMBL3532033 0.74 NTRK1 (0.42) AURKANTRK1CDK2ITKMET
SCHEMBL13955424 0.74 AURKA (0.52) AURKANTRK1CDK2ITKMET

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 1/4885NTRK1 1771/4885CDK2 53/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885NTRK1 1771/4885CDK2 53/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885NTRK1 1771/4885CDK2 53/4885

“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.