Sugi Predict

Sugi Predict / Compounds / SCHEMBL558732

SCHEMBL558732

SCHEMBL558732

CN(CCOc1ccc(-c2cccc3cnc(N[C@H]4CC[C@H](O)CC4)nc23)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 3/20 0.55
▸ JUN P05412 2/20 0.55
▸ PDK2 Q15119 1/20 0.42
▸ ADORA1 P30542 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ MAPK9 P45984 2/20 0.38
▸ BRAF P15056 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ MAPK1 P28482 4/20 0.35
▸ KAT6A Q92794 1/20 0.35
▸ KAT5 Q92993 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34

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
SCHEMBL3492933 0.89 MAPK10 (0.59) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL558818 0.86 MAPK10 (0.64) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL558817 0.86 MAPK10 (0.64) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL558733 0.84 MAPK10 (0.55) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL559197 0.80 MAPK10 (0.66) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL559196 0.80 MAPK10 (0.66) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL559223 0.80 MAPK10 (0.65) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL559222 0.80 MAPK10 (0.65) MAPK10JUNADORA1ADORA2AADORA2B
SCHEMBL557479 0.75 MAPK10 (0.55) MAPK10JUNPDK2ADORA1ADORA2A
SCHEMBL2256748 0.75 MAPK10 (0.55) MAPK10JUNPDK2ADORA1ADORA2A

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 5 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-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 MAPK10 32/4885JUN 36/4885PDK2 640/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885PDK2 640/4885

“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.