SCHEMBL179055

SCHEMBL179055

O=c1[nH][nH]c(=O)c2nccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.34
DAO P14920 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
ABL1 P00519 1/20 0.30
NTRK1 P04629 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
MET P08581 1/20 0.30
PDGFRB P09619 1/20 0.30
PIM1 P11309 1/20 0.30

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
SCHEMBL29390072 0.84 MAPK1 (0.37) PARP1DAOMAPK1ALDH1A1AURKA
SCHEMBL18019769 0.69 DAO (0.42) PARP1DAO
Hydrazine SCHEMBL7414290 0.69 PARP1 (0.51) PARP1MEN1KMT2AALDH1A1AURKA
SCHEMBL16475105 0.68 MAPK1 (0.57) DAOMAPK1ALDH1A1KDRGSK3B
SCHEMBL31135946 0.68 MAPK1 (0.57) DAOMAPK1ALDH1A1KDRGSK3B
SCHEMBL17455475 0.68 PDPK1 (0.53) PARP1ALDH1A1CHEK1ACVR1DYRK1A
SCHEMBL352077 0.67 HSP90AA1 (0.39) MAPK1MEN1KMT2AALDH1A1
SCHEMBL29360166 0.67 HSP90AA1 (0.39) MAPK1MEN1KMT2AALDH1A1
SCHEMBL30358616 0.67 HSP90AA1 (0.39) MAPK1MEN1KMT2AALDH1A1
SCHEMBL29353635 0.67 HSP90AA1 (0.39) MAPK1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024182788-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2024-09-06 WO 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
US-9186349-B2 Diaza heterocyclic compounds for phototherapy MALLINCKRODT LLC (US) 2015-11-17 US 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
US-20120058954-A1 Diaza Heterocyclic Compounds for Phototherapy OCERA THERAPEUTICS LLC 2012-03-08 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
WO-2010132554-A2 DIAZA HETEROCYCLIC COMPOUNDS FOR PHOTOTHERAPY MALLINCKRODT INC. (US) 2010-11-18 WO 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 (5 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 PARP1 1024/4885DAO 3975/4885MAPK1 479/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 PARP1 1063/4885DAO 3519/4885MAPK1 339/4885
US-20120058954-A1 Diaza Heterocyclic Compounds for Phototherapy BAD, BID, CASP3 PARP1 82/4885DAO 249/4885MAPK1 2979/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB PARP1 1024/4885DAO 3975/4885MAPK1 479/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB PARP1 1024/4885DAO 3975/4885MAPK1 479/4885

“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.