SCHEMBL558904

SCHEMBL558904

COC(=O)c1ccc(C)c(OC)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 2/20 0.47
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
HPGD P15428 4/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39

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
SCHEMBL23095997 0.88 SMN1; SMN2 (0.53) SMN1; SMN2PKMALDH1A1KMT2AMEN1
SCHEMBL18073577 0.86 PKM (0.48) SMN1; SMN2PKMALDH1A1KMT2AMEN1
SCHEMBL31620996 0.84 SMN1; SMN2 (0.53) SMN1; SMN2PKMALDH1A1KMT2AMEN1
SCHEMBL29559950 0.84 SMN1; SMN2 (0.47) SMN1; SMN2PKMALDH1A1KMT2AMEN1
SCHEMBL1354839 0.84 SMN1; SMN2 (0.47) SMN1; SMN2PKMALDH1A1KMT2AMEN1
SCHEMBL8307192 0.83 SMN1; SMN2 (0.46) SMN1; SMN2PKMALDH1A1KMT2AMEN1
SCHEMBL8306757 0.82 POLB (0.41) SMN1; SMN2PKMALDH1A1KMT2AMEN1
SCHEMBL15398667 0.81 SMN1; SMN2 (0.50) SMN1; SMN2PKMALDH1A1KMT2AMEN1
SCHEMBL27797779 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1PDGFRB
SCHEMBL15871976 0.79 ALDH1A1 (0.54) SMN1; SMN2PKMALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682961-B2 Quinazoline derivative CARNA BIOSCIENCES, INC. (JP) 2017-06-20 US disclosed
EP-3078660-A1 NOVEL QUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2016-10-12 EP disclosed
US-20160264555-A1 NOVEL QUINAZOLINE DERIVATIVE NATIONAL CANCER CENTER (JP) 2016-09-15 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 SMN1; SMN2 2141/4885PKM 725/4885ALDH1A1 1098/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 SMN1; SMN2 2141/4885PKM 725/4885ALDH1A1 1098/4885
US-20160264555-A1 NOVEL QUINAZOLINE DERIVATIVE WNT1, CTNNB1, CTNND1 SMN1; SMN2 4809/4885PKM 3946/4885ALDH1A1 2304/4885

“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.