Sugi Predict

Sugi Predict / Compounds / SCHEMBL558997

SCHEMBL558997

SCHEMBL558997

O=C(CNC(=O)c1ccccc1)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 9/20 0.51
▸ GSK3B P49841 8/20 0.51
▸ WNT1 P04628 5/20 0.51
▸ USP30 Q70CQ3 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ ROCK2 O75116 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ MELK Q14680 1/20 0.42
▸ CSNK1D P48730 1/20 0.42
▸ CTSV O60911 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ MINK1 Q8N4C8 1/20 0.42
▸ SRPK1 Q96SB4 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL558043 0.88 DYRK1A (0.61) DYRK1AGSK3BWNT1USP30ABL1
SCHEMBL558618 0.85 DYRK1A (0.49) DYRK1AGSK3BWNT1USP30ROCK2
SCHEMBL559822 0.84 GSK3B (0.49) DYRK1AGSK3BWNT1USP30ROCK2
SCHEMBL559024 0.83 DYRK1A (0.65) DYRK1AGSK3BWNT1USP30ROCK2
SCHEMBL559168 0.83 GSK3B (0.54) DYRK1AGSK3BWNT1USP30L3MBTL1
SCHEMBL558713 0.82 GSK3B (0.49) DYRK1AGSK3BWNT1USP30
SCHEMBL558696 0.82 GSK3B (0.55) DYRK1AGSK3BWNT1USP30ROCK2
SCHEMBL559683 0.80 WNT1 (0.51) DYRK1AGSK3BWNT1USP30ROCK2
SCHEMBL559264 0.79 GSK3B (0.56) DYRK1AGSK3BWNT1USP30ABL1
SCHEMBL560081 0.79 WNT3A (0.59) 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-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.