SCHEMBL559672

SCHEMBL559672

Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.50
GSK3B P49841 8/20 0.50
WNT1 P04628 6/20 0.50
KDM4E B2RXH2 1/20 0.47
WNT3A P56704 2/20 0.45
USP30 Q70CQ3 1/20 0.44
MAPK8 P45983 1/20 0.43
MCHR1 Q99705 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.41
ABL1 P00519 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL559512 0.82 DYRK1A (0.52) DYRK1AGSK3BWNT1WNT3AMAPK8
SCHEMBL559024 0.82 DYRK1A (0.65) DYRK1AGSK3BWNT1WNT3AUSP30
SCHEMBL15583582 0.80 ROCK2 (0.55) DYRK1AGSK3BWNT1WNT3AUSP30
SCHEMBL560081 0.78 WNT3A (0.59) DYRK1AGSK3BWNT1WNT3AUSP30
SCHEMBL559694 0.77 ROCK2 (0.56) DYRK1AGSK3BWNT1WNT3AMAPK8
SCHEMBL558696 0.77 GSK3B (0.55) DYRK1AGSK3BWNT1WNT3AUSP30
SCHEMBL559380 0.76 NOTUM (0.52) DYRK1AGSK3BWNT1WNT3AUSP30
SCHEMBL558791 0.75 GSK3B (0.65) DYRK1AGSK3BWNT1WNT3AUSP30
SCHEMBL559364 0.75 MAPK8 (0.70) DYRK1AGSK3BWNT1KDM4EWNT3A
SCHEMBL559683 0.75 WNT1 (0.51) DYRK1AGSK3BWNT1WNT3AUSP30

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 DYRK1A 1064/4885GSK3B 685/4885WNT1 1140/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 DYRK1A 1064/4885GSK3B 685/4885WNT1 1140/4885

“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.