SCHEMBL1055752

SCHEMBL1055752

CCOC(=O)C1(Cc2cccc(Nc3ccnn3C(C)(C)C)n2)CCN(C(=O)c2cccc(Cl)c2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.53
AURKB Q96GD4 14/20 0.53
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PKLR P30613 1/20 0.40

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
SCHEMBL12931287 0.93 AURKA (0.44) AURKAAURKBNPSR1RAB9ANPC1
SCHEMBL1057293 0.91 AURKA (0.54) AURKAAURKBNPSR1RAB9APOLB
SCHEMBL12931292 0.85 AURKA (0.52) AURKAAURKB
SCHEMBL1052549 0.84 AURKA (0.57) AURKAAURKBNPSR1RAB9ANPC1
SCHEMBL1051982 0.83 AURKA (0.56) AURKAAURKB
SCHEMBL1054137 0.83 JAK2 (0.41) NPSR1RAB9ANPC1POLBALDH1A1
SCHEMBL12931294 0.83 AURKA (0.45) AURKAAURKBNPSR1POLB
SCHEMBL1056112 0.82 AURKA (0.61) AURKAAURKB
SCHEMBL12931283 0.82 POLB (0.43) RAB9ANPC1POLBALDH1A1PKLR
SCHEMBL12931293 0.81 AURKA (0.44) AURKAAURKBNPSR1POLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254888-B1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD KK (JP) 2014-12-24 EP disclosed
EP-2254888-B1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD KK (JP) 2014-12-24 EP disclosed
US-8519136-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2013-08-27 US disclosed
US-8519136-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2013-08-27 US disclosed
US-8519136-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2013-08-27 US disclosed
US-20110003833-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-06 US disclosed
US-20110003833-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-06 US disclosed
US-20110003833-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-06 US disclosed
EP-2254888-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-01 EP disclosed
WO-2009104802-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-27 WO disclosed
WO-2009104802-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-27 WO 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-20110003833-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885NPSR1 1457/4885

“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.