SCHEMBL3529102

SCHEMBL3529102

O=C(c1cccc(Cl)c1F)N1C[C@@H]2C[C@H]1CN2Cc1cccc(Nc2cc[nH]n2)n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.37
AURKB Q96GD4 11/20 0.37
FAAH O00519 1/20 0.35
CNR2 P34972 1/20 0.34
INCENP Q9NQS7 1/20 0.34
EGFR P00533 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
SCHEMBL3527166 0.91 AURKA (0.39) AURKAAURKBFAAHCNR2INCENP
SCHEMBL3535817 0.87 AURKA (0.51) AURKAAURKB
SCHEMBL400511 0.85 AURKA (0.38) AURKAAURKBFAAHINCENPEGFR
SCHEMBL10172360 0.85 AURKA (0.38) AURKAAURKBFAAHINCENPEGFR
SCHEMBL3526824 0.85 AURKA (0.40) AURKAAURKB
SCHEMBL10172375 0.83 FAAH (0.36) AURKAAURKBFAAHCNR2INCENP
SCHEMBL400349 0.83 FAAH (0.36) AURKAAURKBFAAHCNR2INCENP
SCHEMBL14776056 0.83 AURKA (0.38) AURKAAURKBINCENP
SCHEMBL3527943 0.82 AURKA (0.48) AURKAAURKBCNR2INCENP
SCHEMBL3531835 0.82 AURKA (0.48) AURKAAURKBCNR2INCENP

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 3/4885FAAH 4440/4885
US-20090149470-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885FAAH 4440/4885

“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.