SCHEMBL3533808

SCHEMBL3533808

Cc1cc(Nc2cccc(CN3CCN(C(=O)c4cccc(Br)c4F)CC3)n2)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.55
AURKB Q96GD4 15/20 0.49
JAK2 O60674 1/20 0.49

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
SCHEMBL3529185 0.89 AURKA (0.61) AURKAAURKB
Hydrochloric Acid SCHEMBL3526662 0.89 AURKA (0.60) AURKAAURKB
SCHEMBL3527792 0.88 AURKA (0.72) AURKAAURKB
SCHEMBL27697859 0.86 AURKA (0.56) AURKAAURKBJAK2
Trifluoroacetic Acid SCHEMBL3526618 0.82 AURKA (0.55) AURKAAURKBJAK2
SCHEMBL3526625 0.82 JAK2 (0.54) AURKAAURKBJAK2
SCHEMBL3530526 0.82 AURKA (0.61) AURKAAURKB
SCHEMBL3526115 0.81 AURKA (0.58) AURKAAURKB
Trifluoroacetic Acid SCHEMBL3530220 0.80 AURKA (0.57) AURKAAURKBJAK2
Hydrochloric Acid SCHEMBL3530772 0.80 AURKA (0.57) AURKAAURKB

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 AURKA 1/4885AURKB 3/4885JAK2 505/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885JAK2 505/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885JAK2 505/4885

“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.