SCHEMBL3533772

SCHEMBL3533772

O=C(c1ccccc1)N1CCCN(Cc2cccc(Nc3ncns3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.45
GRIN2B Q13224 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AURKA O14965 1/20 0.41
FAAH O00519 1/20 0.40
PARP1 P09874 1/20 0.39
GAA P10253 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
SCHEMBL3536534 0.86 LMNA (0.48) KDM4EALDH1A1TSHRMAPK1KMT2A
SCHEMBL3533406 0.84 ABL1 (0.47) KDM4EALDH1A1LMNAAURKA
SCHEMBL3535327 0.81 AURKA (0.58) KDM4EALDH1A1KMT2AMEN1AURKA
SCHEMBL3531365 0.81 AURKA (0.51) KDM4EALDH1A1KMT2AMEN1AURKA
SCHEMBL3535485 0.80 ALDH1A1 (0.43) KDM4EALDH1A1TSHRMAPK1MAPT
SCHEMBL3537132 0.79 AURKA (0.54) KMT2AMEN1AURKAFAAH
SCHEMBL3535774 0.79 NTRK1 (0.49) KDM4EALDH1A1TSHRMAPK1MAPT
SCHEMBL3527049 0.78 AURKA (0.68) KDM4EALDH1A1KMT2AMEN1AURKA
Trifluoroacetic Acid SCHEMBL3535511 0.78 AURKA (0.49) AURKAFAAHGAA
Trifluoroacetic Acid SCHEMBL3533123 0.77 PTGDR2 (0.40) AURKA

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 KDM4E 1448/4885ALDH1A1 1644/4885TSHR 2802/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB KDM4E 1448/4885ALDH1A1 1644/4885TSHR 2802/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB KDM4E 1448/4885ALDH1A1 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.