Sugi Predict

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SCHEMBL559307

SCHEMBL559307

O[C@H]1CC[C@H](Nc2ncc3cccc(OC4CCOC4)c3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 8/20 0.51
▸ JUN P05412 1/20 0.51
▸ TNIK Q9UKE5 1/20 0.49
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ MAPK8 P45983 9/20 0.42
▸ JAK2 O60674 2/20 0.41
▸ JAK1 P23458 2/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ MAPK9 P45984 7/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ AXL P30530 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ GAK O14976 1/20 0.39
▸ ERN1 O75460 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
SCHEMBL559669 1.00 MAPK10 (0.51) MAPK10JUNTNIKIRAK4MAPK8
SCHEMBL558596 1.00 MAPK10 (0.51) MAPK10JUNTNIKIRAK4MAPK8
SCHEMBL558597 1.00 MAPK10 (0.51) MAPK10JUNTNIKIRAK4MAPK8
SCHEMBL559308 1.00 MAPK10 (0.51) MAPK10JUNTNIKIRAK4MAPK8
SCHEMBL559670 1.00 MAPK10 (0.51) MAPK10JUNTNIKIRAK4MAPK8
SCHEMBL2256639 0.94 TNIK (0.53) MAPK10JUNTNIKMAPK8JAK2
SCHEMBL2256643 0.94 TNIK (0.53) MAPK10JUNTNIKMAPK8JAK2
SCHEMBL558775 0.91 JAK2 (0.43) MAPK10JUNTNIKMAPK8JAK2
SCHEMBL559281 0.90 CDK7 (0.44) MAPK10JUNTNIKMAPK8JAK2
SCHEMBL559282 0.90 CDK7 (0.44) MAPK10JUNTNIKMAPK8JAK2

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 36/4885TNIK 1616/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885TNIK 1616/4885

“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.