SCHEMBL3086677

SCHEMBL3086677

O=C(c1cccc(F)n1)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.50
SIGMAR1 Q99720 1/20 0.50
GNE Q9Y223 1/20 0.50
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DPP4 P27487 1/20 0.48
DPP9 Q86TI2 1/20 0.48
LANCL2 Q9NS86 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
SCN9A Q15858 5/20 0.45
SCN7A Q01118 4/20 0.45
KCNH2 Q12809 4/20 0.45
HRH3 Q9Y5N1 1/20 0.44
PARP1 P09874 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7245767 0.89 GNE (0.62) HRH4SIGMAR1GNEUSP2MAPK1
Hydrochloric Acid SCHEMBL7252859 0.87 GNE (0.60) HRH4SIGMAR1GNEUSP2MAPK1
SCHEMBL3075269 0.83 GNE (0.55) GNEUSP2MAPK1SMN1; SMN2DPP4
SCHEMBL3088488 0.81 SMN1; SMN2 (0.54) GNEUSP2MAPK1SMN1; SMN2DPP4
SCHEMBL10251448 0.81 SIGMAR1 (0.50) HRH4SIGMAR1GNEUSP2MAPK1
SCHEMBL21802051 0.81 SIGMAR1 (0.50) HRH4SIGMAR1GNEUSP2MAPK1
SCHEMBL8521201 0.81 GNE (0.47) HRH4SIGMAR1GNEUSP2MAPK1
SCHEMBL3088489 0.80 GNE (0.53) GNEUSP2MAPK1SMN1; SMN2DPP4
SCHEMBL13450575 0.79 HSD11B1 (0.60) GNEUSP2MAPK1SMN1; SMN2DPP4
SCHEMBL15244228 0.78 SCN9A (0.49) HRH4DPP4DPP9LANCL2SCN9A

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 10 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP 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
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO 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 (4 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS HRH4 705/4885SIGMAR1 2088/4885GNE 1078/4885
US-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action AURKA, AURKC, AURKB HRH4 367/4885SIGMAR1 1874/4885GNE 4830/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB HRH4 367/4885SIGMAR1 1874/4885GNE 4830/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB HRH4 367/4885SIGMAR1 1874/4885GNE 4830/4885

“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.