SCHEMBL12898437

SCHEMBL12898437

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 11/20 0.38
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALK Q9UM73 1/20 0.33
▸ PLK1 P53350 4/20 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

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
SCHEMBL12898446 0.90 ALK (0.33) MAPTKDM4EALDH1A1POLBMAPK1
SCHEMBL1266682 0.89 PRKCQ (0.38) PRKCQGAAMAPTKDM4EALDH1A1
SCHEMBL1266680 0.89 PRKCQ (0.38) PRKCQGAAMAPTKDM4EALDH1A1
SCHEMBL12898542 0.84 PRKCQ (0.42) PRKCQGAAMAPTALKPTK2
SCHEMBL4589787 0.84 PRKCQ (0.42) PRKCQGAAMAPTALKPTK2
SCHEMBL1475204 0.82 PRKCQ (0.39) PRKCQMAPTALDH1A1MAPK1KMT2A
SCHEMBL1475201 0.82 PRKCQ (0.39) PRKCQMAPTALDH1A1MAPK1KMT2A
SCHEMBL1265307 0.81 PRKCQ (0.39) PRKCQGAAMAPTALDH1A1MAPK1
SCHEMBL1265304 0.81 PRKCQ (0.39) PRKCQGAAMAPTALDH1A1MAPK1
SCHEMBL1266965 0.79 MAPT (0.39) MAPTALDH1A1POLBMAPK1KMT2A

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 PRKCQ 2701/4885GAA 2880/4885MAPT 4695/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 PRKCQ 2139/4885GAA 2204/4885MAPT 4620/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 PRKCQ 2139/4885GAA 2204/4885MAPT 4620/4885

“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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