SCHEMBL558219

SCHEMBL558219

COc1cc2nc(Cl)ncc2cc1OC1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
PDGFRB P09619 10/20 0.56
PDGFRA P16234 10/20 0.56
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
EPHA2 P29317 1/20 0.46
KDR P35968 1/20 0.46
EPHB4 P54760 1/20 0.46
TLR9 Q9NR96 3/20 0.43
TLR7 Q9NYK1 3/20 0.43

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
SCHEMBL1010778 0.84 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL27987996 0.80 PDGFRB (0.61) PDGFRBPDGFRAPDE4APDE4BPDE4C
SCHEMBL31352747 0.76 ALDH1A1 (0.81) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL2259848 0.75 PDGFRB (0.54) PDGFRBPDGFRA
SCHEMBL2259850 0.75 PDGFRB (0.54) PDGFRBPDGFRA
SCHEMBL1401333 0.74 PDGFRB (0.94) PDGFRBPDGFRATLR9TLR7
SCHEMBL5177457 0.74 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL8501994 0.73 KDM4E (0.77) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL14258169 0.73 SMN1; SMN2 (0.77) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL8204138 0.73 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KDM4E 2041/4885ALDH1A1 1098/4885SMN1; SMN2 2141/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 KDM4E 2041/4885ALDH1A1 1098/4885SMN1; SMN2 2141/4885

“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.