SCHEMBL1056446

SCHEMBL1056446

OC1(Cc2cccc(Br)n2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.49
POLB P06746 1/20 0.48
FAAH O00519 1/20 0.46
CCR3 P51677 1/20 0.45
TSHR P16473 2/20 0.45
CYP2C19 P33261 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
CYP3A4 P08684 3/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2D6 P10635 3/20 0.44
CHRM2 P08172 2/20 0.43
CHRM3 P20309 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL7406058 0.79 OPRL1 (0.65) OPRL1POLBCCR3TSHRCYP2C19
Hydrochloric Acid SCHEMBL7401723 0.77 POLB (0.66) OPRL1POLBCCR3TSHRCYP2C19
SCHEMBL12931241 0.75 OPRL1 (0.39) OPRL1POLBCCR3TSHRCYP2C19
SCHEMBL1366704 0.73 OPRL1 (0.65) OPRL1POLBCCR3TSHRCYP2C19
SCHEMBL11616084 0.72 CCR3 (0.67) OPRL1POLBCCR3KMT2AALDH1A1
SCHEMBL4832242 0.72 CHRM2 (0.56) OPRL1POLBFAAHCYP2C19ALDH1A1
SCHEMBL5399810 0.71 MEN1 (0.57) OPRL1POLBCCR3KMT2AMEN1
SCHEMBL6208208 0.71 POLB (0.66) OPRL1POLBCCR3ALDH1A1LMNA
SCHEMBL1314774 0.71 OPRL1 (0.63) OPRL1POLBCCR3TSHRCYP2C19
SCHEMBL1990088 0.71 OPRL1 (0.63) OPRL1POLBCCR3TSHRCYP2C19

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 OPRL1 3742/4885POLB 3398/4885FAAH 3240/4885

“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.