SCHEMBL3530183

SCHEMBL3530183

N#Cc1cccc(C(=O)N2CCN(Cc3cccc(Nc4ncc(Cl)s4)n3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
NTRK1 P04629 3/20 0.43
PRKAA2 P54646 2/20 0.42
KDR P35968 6/20 0.42
GRM5 P41594 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ITK Q08881 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2A P29274 1/20 0.39
AURKA O14965 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 0.85 NTRK1 (0.45) NTRK1KDRMEN1KMT2AITK
SCHEMBL3532011 0.84 NTRK1 (0.44) ALDH1A1NTRK1KDRMEN1KMT2A
SCHEMBL3535502 0.84 NTRK1 (0.46) NTRK1PRKAA2KDRMEN1KMT2A
SCHEMBL3533023 0.84 KCNK3 (0.47) NTRK1KDRITKAURKA
SCHEMBL3531899 0.83 CHRM2 (0.43) ALDH1A1NTRK1KDRITKTSHR
SCHEMBL3528797 0.82 AURKA (0.41) ALDH1A1NTRK1KDRITKTSHR
SCHEMBL3529221 0.80 ALDH1A1 (0.53) ALDH1A1LMNATSHRSMN1; SMN2AURKA
SCHEMBL3531279 0.80 AURKA (0.51) NTRK1ITKAURKA
SCHEMBL3531462 0.79 CYP2D6 (0.46) ALDH1A1NTRK1KDRMEN1KMT2A
SCHEMBL3531608 0.79 AURKA (0.43) ALDH1A1NTRK1KDRITKAURKA

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 ALDH1A1 1644/4885NTRK1 1771/4885PRKAA2 1019/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB ALDH1A1 1644/4885NTRK1 1771/4885PRKAA2 1019/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB ALDH1A1 1644/4885NTRK1 1771/4885PRKAA2 1019/4885

“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.