Sugi Predict

Sugi Predict / Compounds / SCHEMBL558690

SCHEMBL558690

SCHEMBL558690

CN(C)C(C)(C)COc1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 10/20 0.53
▸ JUN P05412 2/20 0.53
▸ MAPK8 P45983 12/20 0.44
▸ MAPK9 P45984 10/20 0.41
▸ TNIK Q9UKE5 1/20 0.41
▸ ADORA1 P30542 2/20 0.39
▸ AXL P30530 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ GAS6 Q14393 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ PI4KB Q9UBF8 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
SCHEMBL558691 1.00 MAPK10 (0.53) MAPK10JUNMAPK8MAPK9TNIK
SCHEMBL559550 0.86 MAPK10 (0.53) MAPK10JUNMAPK8MAPK9TNIK
SCHEMBL559549 0.86 MAPK10 (0.53) MAPK10JUNMAPK8MAPK9TNIK
SCHEMBL12378898 0.84 MAPK10 (0.54) MAPK10JUNMAPK8MAPK9TNIK
SCHEMBL2257697 0.83 MAPK10 (0.53) MAPK10JUNMAPK8MAPK9TNIK
SCHEMBL2257700 0.83 MAPK10 (0.53) MAPK10JUNMAPK8MAPK9TNIK
SCHEMBL10165884 0.83 MAPK8 (0.57) MAPK10JUNMAPK8MAPK9TNIK
SCHEMBL558809 0.82 MAPK10 (0.53) MAPK10JUNMAPK8MAPK9TNIK
SCHEMBL558810 0.82 MAPK10 (0.53) MAPK10JUNMAPK8MAPK9TNIK
SCHEMBL10166340 0.82 MAPK10 (0.53) MAPK10JUNMAPK8MAPK9TNIK

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 MAPK10 32/4885JUN 36/4885MAPK8 20/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885MAPK8 20/4885

“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.