SCHEMBL3531174

SCHEMBL3531174

O=C(c1cccc(C(F)(F)F)c1F)N1CCN(Cc2nccc(Nc3cc[nH]n3)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.58
AURKB Q96GD4 1/20 0.42
P2RX7 Q99572 9/20 0.41
EPHX2 P34913 3/20 0.38
PARP1 P09874 1/20 0.37
ACKR3 P25106 1/20 0.37
SCD O00767 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3532012 0.88 AURKA (0.46) AURKAAURKB
SCHEMBL3526135 0.87 AURKA (0.73) AURKAAURKBP2RX7EPHX2PARP1
Trifluoroacetic Acid SCHEMBL3529922 0.84 AURKA (0.69) AURKAAURKBP2RX7EPHX2PARP1
SCHEMBL3475612 0.83 AURKA (0.60) AURKAAURKBP2RX7EPHX2PARP1
Hydrochloric Acid SCHEMBL3530557 0.83 AURKA (0.59) AURKAAURKBP2RX7EPHX2PARP1
SCHEMBL401900 0.81 AURKA (0.40) AURKAP2RX7
SCHEMBL3531867 0.81 AURKA (0.57) AURKAAURKBP2RX7EPHX2PARP1
SCHEMBL3531410 0.81 AURKA (0.57) AURKAAURKBP2RX7EPHX2PARP1
SCHEMBL27718223 0.80 AURKA (0.56) AURKAAURKBP2RX7MAPK8MAPK10
SCHEMBL3529266 0.79 AURKA (0.55) AURKAAURKBP2RX7PARP1MAPK8

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 8 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
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
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 3/4885P2RX7 2461/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885P2RX7 2461/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885P2RX7 2461/4885

“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.