SCHEMBL559742

SCHEMBL559742

Cc1cc(F)c2cnc(NC3CCC4(CC3)OCCO4)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.35
DYRK1A Q13627 9/20 0.35
AOC3 Q16853 1/20 0.34
ALDH1A1 P00352 5/20 0.33
IDH1 O75874 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
WNT1 P04628 2/20 0.33
PARP14 Q460N5 1/20 0.32
MAPK1 P28482 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL559257 0.80 BRD4 (0.36) AOC3ALDH1A1KDM4EL3MBTL1MAPK1
SCHEMBL558698 0.79 AOC3 (0.35) AOC3ALDH1A1KDM4EL3MBTL1PARP14
SCHEMBL558983 0.76 HCAR3 (0.43) AOC3ALDH1A1PARP14MAPK1
SCHEMBL559504 0.74 MAPK1 (0.39) PARP14MAPK1
SCHEMBL559117 0.74 CDK2 (0.39) AOC3ALDH1A1KDM4EMAPK1
SCHEMBL558625 0.71 MAPK1 (0.38) AOC3ALDH1A1IDH1MAPK1
SCHEMBL559821 0.68 MAPK1 (0.45) ALDH1A1KDM4EL3MBTL1MAPK1
SCHEMBL558106 0.68 KDM4E (0.34) ALDH1A1KDM4EL3MBTL1PARP14
SCHEMBL31215734 0.67 CYP2A6 (0.35)
SCHEMBL31215727 0.64 CCNK (0.33) IDH1MAPK1

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 5 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-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
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 GSK3B 685/4885DYRK1A 1064/4885AOC3 3143/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 GSK3B 685/4885DYRK1A 1064/4885AOC3 3143/4885

“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.