Sugi Predict

Sugi Predict / Compounds / SCHEMBL558674

SCHEMBL558674

SCHEMBL558674

CC(=O)N[C@H]1CC[C@H](Nc2ncc3cccc(C(=O)NC(C)(C)CO)c3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 6/20 0.43
▸ JUN P05412 2/20 0.43
▸ CNR2 P34972 1/20 0.41
▸ MAPK8 P45983 6/20 0.41
▸ MAPK9 P45984 5/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ CCNE1 P24864 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ADRA2A P08913 4/20 0.38
▸ HRH1 P35367 4/20 0.38
▸ HTR2B P41595 4/20 0.38
▸ MCHR1 Q99705 4/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ SYK P43405 2/20 0.37
▸ IRAK1 P51617 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ CCNE2 O96020 1/20 0.37
▸ CCNA2 P20248 1/20 0.37

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
SCHEMBL558675 1.00 MAPK10 (0.43) MAPK10JUNCNR2MAPK8MAPK9
SCHEMBL2257823 0.90 MAPK10 (0.52) MAPK10JUNCNR2MAPK8MAPK9
SCHEMBL558906 0.90 MAPK10 (0.52) MAPK10JUNCNR2MAPK8MAPK9
SCHEMBL12380029 0.89 MAPK10 (0.42) MAPK10JUNCNR2MAPK8MAPK9
SCHEMBL559703 0.88 MAPK8 (0.41) MAPK10JUNCNR2MAPK8MAPK9
SCHEMBL559702 0.88 MAPK8 (0.41) MAPK10JUNCNR2MAPK8MAPK9
SCHEMBL558201 0.85 MAPK10 (0.43) MAPK10JUNMAPK8MAPK9CDK2
SCHEMBL558200 0.85 MAPK10 (0.43) MAPK10JUNMAPK8MAPK9CDK2
SCHEMBL559469 0.83 MAPK10 (0.43) MAPK10JUNMAPK8MAPK9CDK2
SCHEMBL559470 0.83 MAPK10 (0.43) MAPK10JUNMAPK8MAPK9CDK2

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 MAPK10 32/4885JUN 36/4885CNR2 199/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885CNR2 199/4885

“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.