SCHEMBL1054445

SCHEMBL1054445

OC1(Cc2cccc(Nc3nccs3)n2)CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.48
AURKB Q96GD4 13/20 0.48
INCENP Q9NQS7 13/20 0.48
PLK4 O00444 1/20 0.47
JAK2 O60674 1/20 0.47
STK10 O94804 1/20 0.47
ABL1 P00519 1/20 0.47
RET P07949 1/20 0.47
BCR P11274 1/20 0.47
FER P16591 1/20 0.47
EPHA2 P29317 1/20 0.47
ACVR1B P36896 1/20 0.47
TGFBR1 P36897 1/20 0.47
TEC P42680 1/20 0.47
ABL2 P42684 1/20 0.47
FRK P42685 1/20 0.47
MAPK8 P45983 1/20 0.47
IRAK1 P51617 1/20 0.47
LIMK1 P53667 1/20 0.47
MAPK10 P53779 1/20 0.47

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
SCHEMBL12931225 0.88 AURKA (0.49) AURKAAURKBINCENPPLK4JAK2
SCHEMBL25031659 0.77 AURKA (0.47) AURKAAURKBINCENPPLK4JAK2
SCHEMBL1051945 0.77 AURKA (0.46) AURKAAURKBINCENPPLK4JAK2
SCHEMBL3530238 0.76 CCNK (0.46) AURKAAURKBINCENPPLK4JAK2
SCHEMBL23765776 0.76 AURKA (0.65) AURKAAURKBINCENPPLK4JAK2
SCHEMBL23600457 0.75 AURKA (0.53) AURKAAURKBINCENPPLK4JAK2
Hydrochloric Acid SCHEMBL28520758 0.74 AURKA (0.54) AURKAAURKBINCENPPLK4JAK2
SCHEMBL12931245 0.74 AURKA (0.30) AURKAAURKBINCENP
SCHEMBL25029939 0.74 AURKA (0.47) AURKAAURKBINCENPPLK4JAK2
SCHEMBL12931220 0.74 AURKA (0.56) AURKAAURKBINCENPPLK4JAK2

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 3/4885INCENP 88/4885

“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.