SCHEMBL580832

SCHEMBL580832

O=[N+]([O-])c1cnc(Oc2ccccc2Br)nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TBXA2R P21731 1/20 0.40
HSPB1 P04792 2/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 2/20 0.38
NQO2 P16083 1/20 0.37
KDM4E B2RXH2 1/20 0.37
AGTR1 P30556 1/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28478369 0.81 SMN1; SMN2 (0.51) KMT2AMEN1MAPTLMNAPKM
SCHEMBL20577480 0.81 HSPB1 (0.55) KMT2AMEN1MAPTLMNAPKM
SCHEMBL28478355 0.79 MAPT (0.42) KMT2AMEN1MAPTLMNAPKM
SCHEMBL28475326 0.79 PIN1 (0.55) KMT2AMEN1MAPTLMNAPKM
SCHEMBL18957447 0.77 LMNA (0.49) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL28480773 0.77 KMT2A (0.52) KMT2AMEN1MAPTLMNAPKM
SCHEMBL13721051 0.76 MEN1 (0.41) KMT2AMEN1MAPTPKMALDH1A1
SCHEMBL1283503 0.76 HSPB1 (0.56) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL579980 0.75 KMT2A (0.43) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL16528427 0.74 MAPT (0.48) KMT2AMEN1MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
EP-2418209-A1 Aurora kinase modulators and method of use Amgen Inc. (US) 2012-02-15 EP disclosed
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AMGEN INC. (US) 2011-10-27 US disclosed
US-8022221-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-09-20 US disclosed
US-7560551-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 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 (4 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-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB KMT2A 741/4885MEN1 635/4885MAPT 2283/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 KMT2A 771/4885MEN1 768/4885MAPT 1958/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB KMT2A 741/4885MEN1 635/4885MAPT 2283/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB KMT2A 741/4885MEN1 635/4885MAPT 2283/4885

“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.