SCHEMBL3531899

SCHEMBL3531899

O=C(c1ccsc1)N1CCN(Cc2cccc(Nc3ncc(Cl)s3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
NTRK1 P04629 10/20 0.42
AURKA O14965 1/20 0.41
ITK Q08881 2/20 0.39
LCK P06239 1/20 0.39
KDR P35968 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CDK2 P24941 2/20 0.37
MET P08581 1/20 0.37
WNK1 Q9H4A3 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL3528797 0.85 AURKA (0.41) CHRM2CHRM3NTRK1AURKAITK
SCHEMBL3529221 0.85 ALDH1A1 (0.53) AURKAKDM4EALDH1A1TSHR
SCHEMBL3531608 0.84 AURKA (0.43) NTRK1AURKAITKLCKKDR
SCHEMBL3531462 0.84 CYP2D6 (0.46) NTRK1AURKAITKKDRALDH1A1
SCHEMBL3531279 0.83 AURKA (0.51) NTRK1AURKAITKLCKCDK2
SCHEMBL3530183 0.83 ALDH1A1 (0.45) NTRK1AURKAITKKDRALDH1A1
SCHEMBL3533447 0.83 NTRK1 (0.45) NTRK1ITKLCKKDRCDK2
SCHEMBL3531559 0.82 NTRK1 (0.43) CHRM2CHRM3NTRK1AURKALCK
SCHEMBL3535502 0.82 NTRK1 (0.46) NTRK1ITKLCKKDRWNK1
SCHEMBL3532011 0.82 NTRK1 (0.44) NTRK1AURKAITKLCKKDR

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 CHRM2 73/4885CHRM3 199/4885NTRK1 1771/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB CHRM2 73/4885CHRM3 199/4885NTRK1 1771/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB CHRM2 73/4885CHRM3 199/4885NTRK1 1771/4885

“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.