SCHEMBL3535774

SCHEMBL3535774

O=C(c1ccccc1)N1CCN(Cc2cccc(Nc3ncc(Br)s3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.46
KDR P35968 1/20 0.46
FAAH O00519 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL3528812 0.87 NTRK1 (0.46) NTRK1LMNAKDRKMT2AMEN1
SCHEMBL3533747 0.85 AURKA (0.43) NTRK1KDRFAAHITK
SCHEMBL3533969 0.84 AURKA (0.52) NTRK1ALDH1A1KDM4ELMNAFAAH
SCHEMBL3529654 0.84 AURKA (0.49) NTRK1ALDH1A1KDM4EKDRFAAH
SCHEMBL3528173 0.79 CHEK1 (0.47) ALDH1A1KDR
SCHEMBL3533772 0.79 KDM4E (0.45) ALDH1A1KDM4ETSHRMAPTMAPK1
SCHEMBL3531899 0.78 CHRM2 (0.43) NTRK1ALDH1A1KDM4ETSHRMAPT
SCHEMBL3528797 0.77 AURKA (0.41) NTRK1ALDH1A1KDM4ETSHRMAPT
SCHEMBL3530183 0.77 ALDH1A1 (0.45) NTRK1ALDH1A1TSHRMAPK1LMNA
SCHEMBL3533447 0.77 NTRK1 (0.45) NTRK1LMNAKDRKMT2AMEN1

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 16 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
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-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-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-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2009-06-11 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
US-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action OHKUBO MITSURU 2008-01-31 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
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 1644/4885KDM4E 1448/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB NTRK1 1771/4885ALDH1A1 1644/4885KDM4E 1448/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB NTRK1 1771/4885ALDH1A1 1644/4885KDM4E 1448/4885

“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.