Sugi Predict

Sugi Predict / Compounds / SCHEMBL558923

SCHEMBL558923

SCHEMBL558923

CC(C)N[C@H]1CC[C@H](Nc2ncc3cccc(OC4CCOCC4)c3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ TTK P33981 1/20 0.43
▸ MAPK10 P53779 5/20 0.41
▸ MAPK8 P45983 4/20 0.41
▸ MAPK9 P45984 3/20 0.41
▸ JUN P05412 2/20 0.41
▸ TNIK Q9UKE5 1/20 0.40
▸ MAPK14 Q16539 6/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ GAK O14976 1/20 0.37
▸ RPS6KA4 O75676 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ DDR1 Q08345 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
SCHEMBL558925 1.00 JAK2 (0.44) JAK2JAK1TYK2JAK3TTK
SCHEMBL559081 0.94 JAK2 (0.41) JAK2JAK1TYK2JAK3TTK
SCHEMBL559083 0.94 JAK2 (0.41) JAK2JAK1TYK2JAK3TTK
SCHEMBL558086 0.89 JAK2 (0.47) JAK2JAK1TYK2JAK3TTK
SCHEMBL12380369 0.88 TTK (0.50) JAK2JAK1TYK2JAK3TTK
SCHEMBL2256639 0.86 TNIK (0.53) JAK2JAK1TYK2JAK3TTK
SCHEMBL559883 0.86 CDK7 (0.45) JAK2JAK1TYK2JAK3TTK
SCHEMBL559884 0.86 CDK7 (0.45) JAK2JAK1TYK2JAK3TTK
SCHEMBL2256643 0.86 TNIK (0.53) JAK2JAK1TYK2JAK3TTK
SCHEMBL559614 0.86 JAK2 (0.44) JAK2JAK1TYK2JAK3TTK

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 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.