SCHEMBL559257

SCHEMBL559257

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.36
MAPK7 Q13164 3/20 0.36
AOC3 Q16853 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCNT1 O60563 1/20 0.33
ABL1 P00519 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD2 P25440 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
SCHEMBL558106 0.82 KDM4E (0.34) BRD4ALDH1A1KDM4EL3MBTL1ABL1
SCHEMBL559742 0.80 GSK3B (0.35) AOC3GPR119ALDH1A1KDM4EL3MBTL1
SCHEMBL558698 0.75 AOC3 (0.35) AOC3ALDH1A1KDM4EL3MBTL1CCNT1
SCHEMBL558625 0.72 MAPK1 (0.38) AOC3ALDH1A1CCNT1MAPK1RPS6KA1
SCHEMBL558983 0.72 HCAR3 (0.43) AOC3ALDH1A1CCNT1HSD17B10MAPK1
SCHEMBL559117 0.72 CDK2 (0.39) AOC3ALDH1A1KDM4ECCNT1MAPK1
SCHEMBL559504 0.70 MAPK1 (0.39) BRD4ABL1MAPK1RPS6KA1
SCHEMBL27265549 0.66 TRPV3 (0.36) GPR119TRPV3ALDH1A1KDM4EL3MBTL1
SCHEMBL1694466 0.66 MALT1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL25354731 0.65 TRPA1 (0.39) ALDH1A1L3MBTL1HSD17B10MAPK1

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 10 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
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 BRD4 911/4885MAPK7 26/4885AOC3 3143/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 BRD4 911/4885MAPK7 26/4885AOC3 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.