SCHEMBL558490

SCHEMBL558490

COC(=O)c1cccc(OC2CCOCC2)c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.60
BAZ2B Q9UIF8 1/20 0.60
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CFTR P13569 1/20 0.42
PDE4D Q08499 5/20 0.41
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
PDE5A O76074 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TSHR P16473 1/20 0.38
OPRK1 P41145 1/20 0.37
TYK2 P29597 1/20 0.37

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
SCHEMBL29091631 0.90 ALDH1A1 (0.47) KAT2BBAZ2BALDH1A1HSD17B10CFTR
SCHEMBL8978513 0.86 KAT2B (0.74) KAT2BBAZ2BALDH1A1PDE4DPDE4A
SCHEMBL16692250 0.85 KAT2B (0.61) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL558687 0.80 KAT2B (0.55) KAT2BBAZ2BALDH1A1PDE4DPDE4A
SCHEMBL22714823 0.80 KAT2B (0.45) KAT2BBAZ2BALDH1A1PDE4DPDE4A
SCHEMBL17559356 0.79 CXCR2 (0.46) KAT2BBAZ2BALDH1A1HSD17B10CFTR
SCHEMBL1811110 0.78 KAT2B (0.63) KAT2BBAZ2BALDH1A1PDE4DPDE4A
SCHEMBL1811109 0.78 KAT2B (0.63) KAT2BBAZ2BALDH1A1PDE4DPDE4A
SCHEMBL15390453 0.78 KAT2B (0.52) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL20239548 0.75 DDB1 (0.58) KAT2BBAZ2BALDH1A1HSD17B10CFTR

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
CN-113891745-B As P2X3Aminoquinazoline derivatives of inhibitors 奇斯药制品公司 2024-05-07 CN disclosed
CN-113891745-A As P2X3Aminoquinazoline derivatives as inhibitors 奇斯药制品公司 2022-01-04 CN disclosed
WO-2020239952-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-12-03 WO 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 (2 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 KAT2B 906/4885BAZ2B 2722/4885ALDH1A1 1098/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 KAT2B 906/4885BAZ2B 2722/4885ALDH1A1 1098/4885

“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.