Sugi Predict

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SCHEMBL559674

SCHEMBL559674

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ JUN P05412 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ TNIK Q9UKE5 1/20 0.36
▸ MAPK14 Q16539 7/20 0.35
▸ TTK P33981 1/20 0.35
▸ EGFR P00533 3/20 0.35
▸ ITK Q08881 2/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ MAPK8 P45983 2/20 0.34
▸ MAPK9 P45984 1/20 0.33
▸ PTK2 Q05397 1/20 0.33

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
SCHEMBL559676 1.00 JAK2 (0.38) JAK2JAK1TYK2JAK3JUN
SCHEMBL559599 0.94 JAK2 (0.41) JAK2JAK1TYK2JAK3JUN
SCHEMBL559597 0.94 JAK2 (0.41) JAK2JAK1TYK2JAK3JUN
SCHEMBL559110 0.89 JAK2 (0.41) JAK2JAK1TYK2JAK3JUN
SCHEMBL559108 0.89 JAK2 (0.41) JAK2JAK1TYK2JAK3JUN
SCHEMBL558775 0.87 JAK2 (0.43) JAK2JAK1TYK2JAK3JUN
SCHEMBL558596 0.85 MAPK10 (0.51) JAK2JAK1TYK2JAK3JUN
SCHEMBL558597 0.85 MAPK10 (0.51) JAK2JAK1TYK2JAK3JUN
SCHEMBL559282 0.85 CDK7 (0.44) JAK2JAK1TYK2JAK3JUN
SCHEMBL559669 0.85 MAPK10 (0.51) JAK2JAK1TYK2JAK3JUN

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 JAK2 54/4885JAK1 87/4885TYK2 1929/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 JAK2 54/4885JAK1 87/4885TYK2 1929/4885

“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.