SCHEMBL1266682

SCHEMBL1266682

COc1ccc(CNc2ccc(C#N)cc2Nc2ncc([N+](=O)[O-])c(NC3CCOc4c(F)cc(F)cc43)n2)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 7/20 0.38
▸ LRRK2 Q5S007 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 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
▸ PLK1 P53350 6/20 0.34
▸ ALK Q9UM73 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
SCHEMBL1266680 1.00 PRKCQ (0.38) PRKCQLRRK2MAPK1CYP1A2CYP3A4
SCHEMBL1475204 0.93 PRKCQ (0.39) PRKCQLRRK2MAPK1CYP1A2CYP3A4
SCHEMBL1475201 0.93 PRKCQ (0.39) PRKCQLRRK2MAPK1CYP1A2CYP3A4
SCHEMBL1265307 0.91 PRKCQ (0.39) PRKCQLRRK2MAPK1CYP1A2CYP3A4
SCHEMBL1265304 0.91 PRKCQ (0.39) PRKCQLRRK2MAPK1CYP1A2CYP3A4
SCHEMBL1266965 0.90 MAPT (0.39) LRRK2MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL1266967 0.90 MAPT (0.39) LRRK2MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL12898437 0.89 PRKCQ (0.38) PRKCQMAPK1MAPTALDH1A1KDM4E
SCHEMBL1474749 0.84 PRKCQ (0.43) PRKCQLRRK2MAPK1CYP1A2CYP3A4
SCHEMBL12898542 0.84 PRKCQ (0.42) PRKCQMAPTGAAALK

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 6 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
EP-1874772-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-01-09 — — EP disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 — — US disclosed
WO-2006108103-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2006-10-12 — — WO 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 2701/4885LRRK2 4162/4885MAPK1 2328/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 PRKCQ 2139/4885LRRK2 4583/4885MAPK1 1601/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 PRKCQ 2139/4885LRRK2 4583/4885MAPK1 1601/4885

“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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