SCHEMBL4589787

SCHEMBL4589787

COc1ccc(CNc2cc(F)ccc2Nc2ncc([N+](=O)[O-])c(N[C@@H]3CCOc4c(F)cccc43)n2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 12/20 0.42
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ ALK Q9UM73 3/20 0.37
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL12898542 1.00 PRKCQ (0.42) PRKCQJAK2JAK1JAK3PTK2
SCHEMBL1475201 0.90 PRKCQ (0.39) PRKCQJAK2JAK1JAK3PTK2
SCHEMBL1475204 0.90 PRKCQ (0.39) PRKCQJAK2JAK1JAK3PTK2
SCHEMBL12898540 0.89 JAK3 (0.39) JAK2JAK1JAK3PTK2ALK
SCHEMBL4590742 0.89 JAK3 (0.39) JAK2JAK1JAK3PTK2ALK
SCHEMBL12898437 0.84 PRKCQ (0.38) PRKCQPTK2ALKMAPTGAA
SCHEMBL1266682 0.84 PRKCQ (0.38) PRKCQALKMAPTGAA
SCHEMBL1266680 0.84 PRKCQ (0.38) PRKCQALKMAPTGAA
SCHEMBL1265304 0.82 PRKCQ (0.39) PRKCQALKMAPTGAA
SCHEMBL1265307 0.82 PRKCQ (0.39) PRKCQALKMAPTGAA

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-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-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 — — US disclosed
US-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-05-22 — — US disclosed
US-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-05-22 — — US disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 — — 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 (3 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-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression P2RX7, P2RX5, P2RY1 PRKCQ 2701/4885JAK2 3325/4885JAK1 1500/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 PRKCQ 2139/4885JAK2 2995/4885JAK1 1243/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 PRKCQ 2139/4885JAK2 2995/4885JAK1 1243/4885

“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.

Send feedback