SCHEMBL558738

SCHEMBL558738

c1cc2cnc(NC3CCOCC3)cc2cc1-c1cn[nH]c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.53
PRKD2 Q9BZL6 1/20 0.53
DYRK1A Q13627 10/20 0.53
GSK3B P49841 9/20 0.53
WNT1 P04628 4/20 0.50
USP30 Q70CQ3 1/20 0.49
CCNE1 P24864 4/20 0.43
CDK2 P24941 4/20 0.43
CLK2 P49760 3/20 0.43
CLK3 P49761 3/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
FYN P06241 1/20 0.43
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
CCNT1 O60563 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
SCHEMBL19544165 0.84 GSK3B (0.67) DYRK1AGSK3BWNT1USP30
SCHEMBL560217 0.81 DYRK1A (0.55) DYRK1AGSK3BWNT1USP30CLK2
SCHEMBL559477 0.80 DYRK1A (0.50) PRKD1PRKD2DYRK1AGSK3BWNT1
SCHEMBL558149 0.80 GSK3B (0.57) DYRK1AGSK3BWNT1USP30
SCHEMBL559124 0.79 DYRK1A (0.47) DYRK1AGSK3BWNT1USP30CLK2
SCHEMBL19515995 0.78 GSK3B (0.71) DYRK1AGSK3BWNT1USP30
SCHEMBL19515815 0.77 GSK3B (0.73) DYRK1AGSK3BWNT1USP30
SCHEMBL23221368 0.77 GSK3B (0.52) DYRK1AGSK3BWNT1USP30CDK2
SCHEMBL19515695 0.76 GSK3B (0.73) DYRK1AGSK3BWNT1USP30
SCHEMBL30005271 0.76 GSK3B (0.73) DYRK1AGSK3BWNT1USP30

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-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

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 PRKD1 434/4885PRKD2 402/4885DYRK1A 1064/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 PRKD1 434/4885PRKD2 402/4885DYRK1A 1064/4885

“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.