SCHEMBL580112

SCHEMBL580112

Nc1ccc(Oc2ncccc2Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
APAF1 O14727 1/20 0.56
PDE10A Q9Y233 6/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAOA P21397 1/20 0.44
RAB9A P51151 1/20 0.42
DRD1 P21728 1/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NLRP1 Q9C000 1/20 0.41
NOD2 Q9HC29 1/20 0.41
GCK P35557 1/20 0.39
TEAD4 Q15561 1/20 0.38

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
SCHEMBL4669545 0.91 MEN1 (0.47) MEN1KMT2AAPAF1PDE10AMAPT
SCHEMBL4008329 0.83 PDE10A (0.51) MEN1KMT2APDE10AMAPTALDH1A1
SCHEMBL31395515 0.82 PDE10A (0.53) KMT2APDE10ACYP3A4DRD1SMN1; SMN2
SCHEMBL20406612 0.82 PDE10A (0.48) MEN1KMT2APDE10AMAPTALDH1A1
SCHEMBL31395507 0.82 PDE10A (0.51) MEN1KMT2APDE10ATDP1RAB9A
SCHEMBL20406610 0.82 PDE10A (0.51) MEN1KMT2APDE10ATDP1RAB9A
SCHEMBL2488534 0.82 RAB9A (0.56) MEN1KMT2APDE10AMAPTALDH1A1
SCHEMBL7910614 0.82 KMT2A (0.59) MEN1KMT2APDE10AMAPTALDH1A1
SCHEMBL20406238 0.82 PDE10A (0.48) MEN1KMT2APDE10AMAPTALDH1A1
SCHEMBL20406087 0.81 MPO (0.43) MEN1KMT2AAPAF1PDE10ARAB9A

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 54 patents — showing the first 20. 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
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
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
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
US-8759532-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-06-24 US disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 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
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 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
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US 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
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 (3 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 MEN1 635/4885KMT2A 741/4885APAF1 701/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 MEN1 768/4885KMT2A 771/4885APAF1 856/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB MEN1 635/4885KMT2A 741/4885APAF1 701/4885

“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.