SCHEMBL12898446

SCHEMBL12898446

[C-]#[N+]c1ccc(NCc2ccc(OC)cc2OC)c(Nc2ncc(N)c(NC3CCOc4c(F)cc(F)cc43)n2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ FLT3 P36888 1/20 0.32
▸ TYRO3 Q06418 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ GAS6 Q14393 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ BCDIN3D Q7Z5W3 1/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ IGF1R P08069 2/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31

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
SCHEMBL12898437 0.90 PRKCQ (0.38) ALKMAPTFLT3TYRO3MERTK
SCHEMBL1266965 0.89 MAPT (0.39) ALKMAPTENPP2FLT3TYRO3
SCHEMBL1266967 0.89 MAPT (0.39) ALKMAPTENPP2FLT3TYRO3
SCHEMBL12898540 0.83 JAK3 (0.39) ALKMAPTENPP2FLT3TYRO3
SCHEMBL4590742 0.83 JAK3 (0.39) ALKMAPTENPP2FLT3TYRO3
SCHEMBL12898439 0.80 JAK2 (0.54) ALKFLT3PTK2JAK3JAK2
SCHEMBL1264853 0.79 ENPP2 (0.40) ALKMAPTENPP2FLT3TYRO3
SCHEMBL1264852 0.79 ENPP2 (0.40) ALKMAPTENPP2FLT3TYRO3
SCHEMBL1266682 0.79 PRKCQ (0.38) ALKMAPTLMNAPOLBL3MBTL1
SCHEMBL1266680 0.79 PRKCQ (0.38) ALKMAPTLMNAPOLBL3MBTL1

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 ALK 4457/4885MAPT 4695/4885ENPP2 240/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 ALK 3338/4885MAPT 4620/4885ENPP2 190/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 ALK 3338/4885MAPT 4620/4885ENPP2 190/4885

“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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