Sugi Predict

Sugi Predict / Compounds / SCHEMBL559103

SCHEMBL559103

SCHEMBL559103

CC(C)(O)CNC(=O)c1cccc2cnc(N[C@H]3CC[C@H](NS(C)(=O)=O)CC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 15/20 0.43
▸ MAPK9 P45984 8/20 0.43
▸ MAPK10 P53779 6/20 0.43
▸ JUN P05412 2/20 0.41
▸ CDK1 P06493 2/20 0.40
▸ CDK4 P11802 2/20 0.40
▸ CCND1 P24385 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ FLT3 P36888 1/20 0.39

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
SCHEMBL559104 1.00 MAPK8 (0.43) MAPK8MAPK9MAPK10JUNCDK1
SCHEMBL559414 0.89 MAPK10 (0.52) MAPK8MAPK9MAPK10JUNFLT3
SCHEMBL2262130 0.89 MAPK10 (0.52) MAPK8MAPK9MAPK10JUNFLT3
SCHEMBL12380024 0.88 JUN (0.42) MAPK8MAPK10JUNCDK4CCND1
SCHEMBL558200 0.88 MAPK10 (0.43) MAPK8MAPK9MAPK10JUNCDK2
SCHEMBL558201 0.88 MAPK10 (0.43) MAPK8MAPK9MAPK10JUNCDK2
SCHEMBL559703 0.85 MAPK8 (0.41) MAPK8MAPK9MAPK10JUNCDK1
SCHEMBL559702 0.85 MAPK8 (0.41) MAPK8MAPK9MAPK10JUNCDK1
SCHEMBL559013 0.81 MAPK8 (0.41) MAPK8MAPK9MAPK10JUNCDK1
SCHEMBL559014 0.81 MAPK8 (0.41) MAPK8MAPK9MAPK10JUNCDK1

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 7 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-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 MAPK8 20/4885MAPK9 62/4885MAPK10 32/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK8 20/4885MAPK9 62/4885MAPK10 32/4885

“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.