SCHEMBL559694

SCHEMBL559694

COc1ccccc1CC(=O)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.56
ROCK1 Q13464 5/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
WNT1 P04628 3/20 0.51
GSK3B P49841 3/20 0.51
DYRK1A Q13627 3/20 0.51
MAPK8 P45983 1/20 0.49
WNT3A P56704 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL559024 0.84 DYRK1A (0.65) ROCK2MEN1KMT2AWNT1GSK3B
SCHEMBL559364 0.82 MAPK8 (0.70) ROCK2ROCK1WNT1GSK3BDYRK1A
SCHEMBL560081 0.81 WNT3A (0.59) WNT1GSK3BDYRK1AMAPK8WNT3A
SCHEMBL559264 0.80 GSK3B (0.56) WNT1GSK3BDYRK1AMAPK8WNT3A
SCHEMBL15583582 0.80 ROCK2 (0.55) ROCK2WNT1GSK3BDYRK1AMAPK8
SCHEMBL558791 0.79 GSK3B (0.65) WNT1GSK3BDYRK1AMAPK8WNT3A
SCHEMBL558696 0.78 GSK3B (0.55) ROCK2ROCK1WNT1GSK3BDYRK1A
SCHEMBL559380 0.77 NOTUM (0.52) MEN1KMT2AWNT1GSK3BDYRK1A
SCHEMBL559672 0.77 DYRK1A (0.50) WNT1GSK3BDYRK1AMAPK8WNT3A
SCHEMBL559512 0.77 DYRK1A (0.52) KMT2AWNT1GSK3BDYRK1AMAPK8

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-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 ROCK2 600/4885ROCK1 307/4885MEN1 2633/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ROCK2 600/4885ROCK1 307/4885MEN1 2633/4885

“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.