SCHEMBL558106

SCHEMBL558106

Cc1ccc(OC2CCCC2)c2cc(NC3CCC4(CC3)OCCO4)ncc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE10A Q9Y233 4/20 0.34
ABL1 P00519 1/20 0.33
TBK1 Q9UHD2 2/20 0.33
SSTR5 P35346 1/20 0.33
LRRK2 Q5S007 1/20 0.32
PDGFRB P09619 2/20 0.32
PDGFRA P16234 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PARP14 Q460N5 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
BRD4 O60885 1/20 0.31
CHEK1 O14757 1/20 0.31
RPS6KA3 P51812 1/20 0.31
SRPK1 Q96SB4 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL559771 0.83 EGFR (0.41) KDM4EALDH1A1L3MBTL1PDE10AABL1
SCHEMBL559770 0.83 EGFR (0.41) KDM4EALDH1A1L3MBTL1PDE10AABL1
SCHEMBL10166195 0.83 EGFR (0.41) KDM4EALDH1A1L3MBTL1PDE10AABL1
SCHEMBL2257661 0.83 EGFR (0.41) KDM4EALDH1A1L3MBTL1PDE10AABL1
SCHEMBL559257 0.82 BRD4 (0.36) KDM4EALDH1A1L3MBTL1ABL1LRRK2
SCHEMBL14391671 0.71 PDE4A (0.39) PDGFRBPDGFRAPIK3C3
SCHEMBL558698 0.70 AOC3 (0.35) KDM4EALDH1A1L3MBTL1ABL1LMNA
SCHEMBL559742 0.68 GSK3B (0.35) KDM4EALDH1A1L3MBTL1PARP14
SCHEMBL558983 0.67 HCAR3 (0.43) ALDH1A1PARP14CCNE1CDK2
SCHEMBL559117 0.67 CDK2 (0.39) KDM4EALDH1A1CHEK1CCNE1CDK2

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 9 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

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 1098/4885L3MBTL1 2693/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 KDM4E 2041/4885ALDH1A1 1098/4885L3MBTL1 2693/4885

“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.