SCHEMBL12898540

SCHEMBL12898540

COc1ccc(CNc2cc(F)ccc2Nc2ncc(N)c(NC3CCOc4c(F)cccc43)n2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 7/20 0.39
▸ JAK2 O60674 5/20 0.39
▸ JAK1 P23458 4/20 0.39
▸ PTK2 Q05397 2/20 0.38
▸ ALK Q9UM73 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ GAS6 Q14393 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ IGF1R P08069 2/20 0.35
▸ ENPP2 Q13822 1/20 0.34

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
SCHEMBL4590742 1.00 JAK3 (0.39) JAK3JAK2JAK1PTK2ALK
SCHEMBL4589787 0.89 PRKCQ (0.42) JAK3JAK2JAK1PTK2ALK
SCHEMBL12898542 0.89 PRKCQ (0.42) JAK3JAK2JAK1PTK2ALK
SCHEMBL1266965 0.83 MAPT (0.39) PTK2ALKMAPTLMNAPOLB
SCHEMBL12898446 0.83 ALK (0.33) JAK3JAK2JAK1PTK2ALK
SCHEMBL1266967 0.83 MAPT (0.39) PTK2ALKMAPTLMNAPOLB
SCHEMBL1266956 0.82 DHFR (0.36) MAPTLMNASMN1; SMN2ENPP2
SCHEMBL1264853 0.81 ENPP2 (0.40) JAK3PTK2ALKMAPTLMNA
SCHEMBL1264852 0.81 ENPP2 (0.40) JAK3PTK2ALKMAPTLMNA
SCHEMBL12828852 0.80 CYP1A2 (0.38) JAK3JAK2JAK1PTK2ALK

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-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-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 JAK3 495/4885JAK2 3325/4885JAK1 1500/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 JAK3 1092/4885JAK2 2995/4885JAK1 1243/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 JAK3 1092/4885JAK2 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.

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