SCHEMBL401096

SCHEMBL401096

CN(C)C(=O)c1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cccc(C(F)(F)F)c2C#N)nc(Nc2nccs2)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.34
AURKB Q96GD4 3/20 0.34
INCENP Q9NQS7 3/20 0.34
POLQ O75417 4/20 0.32
PIK3CD O00329 1/20 0.32
CTSS P25774 1/20 0.31
SCN9A Q15858 5/20 0.30
SCN5A Q14524 4/20 0.30

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 SCHEMBL397830 0.90 AURKA (0.39) AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL401843 0.89 AURKA (0.39) AURKAAURKBINCENP
SCHEMBL401100 0.84 AURKA (0.41) AURKAAURKBINCENP
SCHEMBL10172408 0.84 AURKA (0.41) AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL399352 0.83 AURKA (0.40) AURKAAURKBINCENP
SCHEMBL402055 0.76 AURKA (0.44) AURKAAURKBINCENP
SCHEMBL10172407 0.76 AURKA (0.44) AURKAAURKBINCENP
SCHEMBL399206 0.73 AURKA (0.40) AURKAAURKBPOLQCTSS
SCHEMBL10219748 0.71 AURKA (0.42) AURKAAURKBINCENP
SCHEMBL3527943 0.71 AURKA (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2017279-B1 AMINOPYRIMIDINE DERIVATIVES HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY MSD KK (JP) 2013-09-04 EP disclosed
US-8101621-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2012-01-24 US disclosed
US-20090192174-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US disclosed
EP-2017279-A1 NOVEL AMINOPYRIDINE DERIVATIVE HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP 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-20090192174-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action RB1, AURKA, AURKC AURKA 2/4885AURKB 4/4885INCENP 310/4885

“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.