SCHEMBL558698

SCHEMBL558698

Cc1cc(Br)cc2cc(NC3CCC4(CC3)OCCO4)ncc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.35
PARP14 Q460N5 1/20 0.34
MAP4K1 Q92918 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNE1 P24864 5/20 0.32
CDK2 P24941 5/20 0.32
MAPK1 P28482 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CCNT1 O60563 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL558983 0.82 HCAR3 (0.43) AOC3PARP14CCNE1CDK2MAPK1
SCHEMBL559504 0.81 MAPK1 (0.39) PARP14MAP4K1CCNE1CDK2MAPK1
SCHEMBL559742 0.79 GSK3B (0.35) AOC3PARP14KDM4EMAPK1ALDH1A1
SCHEMBL559257 0.75 BRD4 (0.36) AOC3KDM4EMAPK1MAPK9MAPK10
SCHEMBL559821 0.74 MAPK1 (0.45) KDM4ELMNASMN1; SMN2MAPK1MAPK8
SCHEMBL559117 0.74 CDK2 (0.39) AOC3KDM4ECCNE1CDK2MAPK1
SCHEMBL14647251 0.71 HTT (0.42) LMNASMN1; SMN2ALDH1A1
SCHEMBL558106 0.70 KDM4E (0.34) PARP14KDM4ELMNASMN1; SMN2CCNE1
SCHEMBL31215734 0.67 CYP2A6 (0.35) CCNE1CDK2
SCHEMBL20938576 0.67 ABL1 (0.55) MAP4K1ABL1

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 12 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
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 AOC3 3143/4885PARP14 3343/4885MAP4K1 29/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 AOC3 3143/4885PARP14 3343/4885MAP4K1 29/4885

“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.