Sugi Predict

Sugi Predict / Compounds / SCHEMBL559833

SCHEMBL559833

SCHEMBL559833

NC[C@@H](NC(=O)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 7/20 0.52
▸ CDK2 P24941 2/20 0.52
▸ CCNE1 P24864 1/20 0.52
▸ MAPK8 P45983 10/20 0.50
▸ MAST3 O60307 3/20 0.50
▸ MAPK9 P45984 3/20 0.50
▸ RPS6KA5 O75582 2/20 0.46
▸ AKT1 P31749 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ NEK4 P51957 2/20 0.46
▸ PRKCD Q05655 2/20 0.46
▸ PRKG2 Q13237 2/20 0.46
▸ ROCK1 Q13464 2/20 0.46
▸ PRKG1 Q13976 2/20 0.46
▸ PKN2 Q16513 2/20 0.46
▸ CLK4 Q9HAZ1 2/20 0.46
▸ MAPK13 O15264 1/20 0.46
▸ DYRK3 O43781 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ PRKD3 O94806 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
SCHEMBL2255094 1.00 MAPK1 (0.52) MAPK1CDK2CCNE1MAPK8MAST3
SCHEMBL2261664 0.92 MAPK1 (0.61) MAPK1CDK2CCNE1MAPK8MAST3
SCHEMBL2258614 0.92 MAPK1 (0.61) MAPK1CDK2CCNE1MAPK8MAST3
SCHEMBL559280 0.92 MAPK1 (0.61) MAPK1CDK2CCNE1MAPK8MAST3
SCHEMBL559078 0.92 MAPK1 (0.61) MAPK1CDK2CCNE1MAPK8MAST3
SCHEMBL2257539 0.92 MAPK1 (0.61) MAPK1CDK2CCNE1MAPK8MAST3
SCHEMBL558908 0.92 MAPK1 (0.61) MAPK1CDK2CCNE1MAPK8MAST3
SCHEMBL10166399 0.92 MAPK1 (0.61) MAPK1CDK2CCNE1MAPK8MAST3
SCHEMBL10207031 0.91 MAPK8 (0.59) MAPK1CDK2CCNE1MAPK8MAST3
SCHEMBL2255638 0.91 MAPK8 (0.59) MAPK1CDK2CCNE1MAPK8MAST3

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 MAPK1 1/4885CDK2 125/4885CCNE1 523/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK1 1/4885CDK2 125/4885CCNE1 523/4885

“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.