SCHEMBL3533406

SCHEMBL3533406

O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cccc(Nc3ncns3)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.47
BCR P11274 6/20 0.47
AURKA O14965 1/20 0.46
POLB P06746 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
PHGDH O43175 1/20 0.44
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TNFSF11 O14788 1/20 0.41
TNF P01375 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41

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
SCHEMBL3536534 0.87 LMNA (0.48) AURKAHPGDLMNAKDM4EALDH1A1
SCHEMBL3533772 0.84 KDM4E (0.45) AURKALMNAKDM4EALDH1A1
SCHEMBL3535327 0.83 AURKA (0.58) AURKAMAPK8MAPK10KDM4EALDH1A1
SCHEMBL3527049 0.82 AURKA (0.68) AURKAKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL3535511 0.78 AURKA (0.49) AURKA
SCHEMBL3537132 0.78 AURKA (0.54) AURKA
SCHEMBL3531365 0.78 AURKA (0.51) AURKAKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL3529803 0.77 AURKA (0.51) AURKALMNAKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL3533123 0.74 PTGDR2 (0.40) AURKAPTGDR2
Trifluoroacetic Acid SCHEMBL3532665 0.74 GPR6 (0.38) AURKA

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 ABL1 163/4885BCR 880/4885AURKA 1/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB ABL1 163/4885BCR 880/4885AURKA 1/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB ABL1 163/4885BCR 880/4885AURKA 1/4885

“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.