SCHEMBL3532011

SCHEMBL3532011

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 4/20 0.43
ITK Q08881 2/20 0.41
KDR P35968 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LCK P06239 1/20 0.40
WNK1 Q9H4A3 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
SYK P43405 1/20 0.39
AURKA O14965 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3533447 0.86 NTRK1 (0.45) NTRK1LMNAITKKDRMEN1
SCHEMBL3535502 0.85 NTRK1 (0.46) NTRK1ITKKDRMEN1KMT2A
SCHEMBL3530183 0.84 ALDH1A1 (0.45) NTRK1ALDH1A1TSHRLMNAITK
SCHEMBL3531899 0.82 CHRM2 (0.43) NTRK1ALDH1A1TSHRITKKDR
SCHEMBL3528797 0.81 AURKA (0.41) NTRK1ALDH1A1TSHRITKKDR
SCHEMBL3532033 0.80 NTRK1 (0.42) NTRK1ITKKDRLCKAURKA
SCHEMBL3529221 0.79 ALDH1A1 (0.53) ALDH1A1TSHRLMNAAURKASMN1; SMN2
SCHEMBL3531279 0.79 AURKA (0.51) NTRK1ITKLCKAURKA
SCHEMBL3531559 0.79 NTRK1 (0.43) NTRK1ALDH1A1KDRKMT2ALCK
SCHEMBL3531608 0.79 AURKA (0.43) NTRK1ALDH1A1ITKKDRLCK

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 1771/4885ALDH1A1 1644/4885TSHR 2802/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB NTRK1 1771/4885ALDH1A1 1644/4885TSHR 2802/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB NTRK1 1771/4885ALDH1A1 1644/4885TSHR 2802/4885

“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.