SCHEMBL1056825

SCHEMBL1056825

O=c1[nH]nc(C2(Cc3cccc(Nc4cc[nH]n4)n3)CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)o1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.51
AURKB Q96GD4 11/20 0.51
INCENP Q9NQS7 11/20 0.51
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NR3C1 P04150 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL1053333 0.96 AURKA (0.54) AURKAAURKBINCENPMEN1KMT2A
SCHEMBL12931315 0.90 AURKA (0.47) AURKAAURKBINCENPALDH1A1
SCHEMBL12931310 0.88 AURKA (0.46) AURKAAURKBINCENPMEN1KMT2A
SCHEMBL12931314 0.87 AURKA (0.54) AURKAAURKBINCENPTSHR
Trifluoroacetic Acid SCHEMBL1055761 0.87 AURKA (0.53) AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL1056832 0.86 AURKA (0.64) AURKAAURKBINCENP
SCHEMBL1052439 0.82 AURKA (0.54) AURKAAURKBINCENP
SCHEMBL16361728 0.81 AURKA (0.48) AURKAAURKBINCENP
SCHEMBL1501453 0.79 AURKA (0.79) AURKAAURKBINCENP
SCHEMBL1501456 0.79 AURKA (0.79) AURKAAURKBINCENP

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254888-B1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD KK (JP) 2014-12-24 EP claimed
US-8519136-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2013-08-27 US claimed
US-20110003833-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-06 US claimed
EP-2254888-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-01 EP claimed
WO-2009104802-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-27 WO claimed
EP-2254888-B1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD KK (JP) 2014-12-24 EP disclosed
US-8519136-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2013-08-27 US disclosed
US-8519136-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2013-08-27 US disclosed
US-20110003833-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-06 US disclosed
EP-2254888-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-01 EP disclosed
WO-2009104802-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-27 WO 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 (1 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-20110003833-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885INCENP 88/4885

“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.