SCHEMBL3533447

SCHEMBL3533447

CN(C)c1cccc(C(=O)N2CCN(Cc3cccc(Nc4ncc(Cl)s4)n3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.45
ABL1 P00519 5/20 0.43
BCR P11274 5/20 0.43
ITK Q08881 6/20 0.42
LMNA P02545 1/20 0.42
KDR P35968 1/20 0.41
CDK2 P24941 1/20 0.41
BMX P51813 1/20 0.41
BTK Q06187 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
WNK1 Q9H4A3 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL3532011 0.86 NTRK1 (0.44) NTRK1ITKLMNAKDRMEN1
SCHEMBL3535502 0.86 NTRK1 (0.46) NTRK1ITKKDRMEN1KMT2A
SCHEMBL3530183 0.85 ALDH1A1 (0.45) NTRK1ITKLMNAKDRMEN1
SCHEMBL3531899 0.83 CHRM2 (0.43) NTRK1ITKKDRCDK2WNK1
SCHEMBL3528797 0.82 AURKA (0.41) NTRK1ITKKDRWNK1LCK
SCHEMBL3532033 0.80 NTRK1 (0.42) NTRK1ITKKDRCDK2LCK
SCHEMBL3531279 0.80 AURKA (0.51) NTRK1ITKCDK2LCK
SCHEMBL3529221 0.80 ALDH1A1 (0.53) LMNA
SCHEMBL3531559 0.80 NTRK1 (0.43) NTRK1KDRCDK2KMT2ALCK
SCHEMBL3531462 0.79 CYP2D6 (0.46) NTRK1ITKKDRMEN1KMT2A

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 8 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
CN-101103017-A Novel aminopyridine derivatives having Aurora-A selective inhibitory action BANYU PHARMA CO LTD (JP) 2008-01-09 CN 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 NTRK1 1771/4885ABL1 163/4885BCR 880/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB NTRK1 1771/4885ABL1 163/4885BCR 880/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB NTRK1 1771/4885ABL1 163/4885BCR 880/4885

“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.