SCHEMBL559190

SCHEMBL559190

O=C(Nc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1COc2ccccc2C1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.70
RPS6KB1 P23443 1/20 0.63
CDC42BPA Q5VT25 1/20 0.60
WNT1 P04628 1/20 0.56
GSK3B P49841 1/20 0.56
DYRK1A Q13627 1/20 0.56
USP30 Q70CQ3 1/20 0.53

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
SCHEMBL1990908 0.83 ROCK2 (1.00) ROCK2RPS6KB1CDC42BPA
SCHEMBL19515815 0.82 GSK3B (0.73) WNT1GSK3BDYRK1AUSP30
SCHEMBL1985492 0.80 ROCK2 (1.00) ROCK2RPS6KB1CDC42BPA
SCHEMBL1988546 0.80 ROCK2 (1.00) ROCK2RPS6KB1CDC42BPA
SCHEMBL19544165 0.80 GSK3B (0.67) WNT1GSK3BDYRK1AUSP30
SCHEMBL13457188 0.79 ROCK2 (0.69) ROCK2RPS6KB1CDC42BPAUSP30
SCHEMBL19516327 0.79 GSK3B (0.67) WNT1GSK3BDYRK1AUSP30
SCHEMBL19516204 0.79 GSK3B (0.70) WNT1GSK3BDYRK1AUSP30
SCHEMBL558364 0.79 DYRK1A (0.56) ROCK2WNT1GSK3BDYRK1AUSP30
SCHEMBL19515590 0.78 DYRK1A (0.76) WNT1GSK3BDYRK1A

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 ROCK2 600/4885RPS6KB1 82/4885CDC42BPA 844/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ROCK2 600/4885RPS6KB1 82/4885CDC42BPA 844/4885

“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.