Sugi Predict

Sugi Predict / Compounds / SCHEMBL12899080

SCHEMBL12899080

SCHEMBL12899080

O=c1[nH]c2cnc(-n3cnc4ccccc43)nc2n1-c1cccc2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.53
▸ JAK3 P52333 19/20 0.53
▸ MKNK2 Q9HBH9 2/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ DCLK1 O15075 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ RPS6KA5 O75582 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ FES P07332 1/20 0.39
▸ LYN P07948 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
SCHEMBL15206084 0.81 JAK2 (0.54) JAK2JAK3
SCHEMBL12899078 0.81 JAK2 (0.54) JAK2JAK3MKNK1
SCHEMBL12899076 0.81 JAK2 (0.56) JAK2JAK3MKNK2MKNK1GSK3B
SCHEMBL21467308 0.77 AURKA (0.52) AURKACDK5
SCHEMBL30615508 0.77 AURKA (0.52) AURKACDK5
SCHEMBL12899001 0.76 JAK2 (0.50) JAK2JAK3MKNK2PLK4AURKA
SCHEMBL12899081 0.74 JAK2 (0.44) JAK2JAK3FGFR1
SCHEMBL12898971 0.74 JAK2 (0.57) JAK2JAK3MKNK2MKNK1
SCHEMBL12898886 0.74 JAK2 (0.57) JAK2JAK3MKNK2MKNK1
SCHEMBL1265222 0.74 JAK2 (0.57) JAK2JAK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 — — US disclosed
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 — — US disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 — — US disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 — — 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-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 JAK2 2995/4885JAK3 1092/4885MKNK2 2967/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 JAK2 2995/4885JAK3 1092/4885MKNK2 2967/4885

“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.