SCHEMBL1265307

SCHEMBL1265307

COc1ccc(CNc2ccc(C#N)cc2Nc2ncc([N+](=O)[O-])c(NC3CCOc4ccc(F)cc43)n2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 7/20 0.39
▸ PLK1 P53350 6/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ GAA P10253 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
SCHEMBL1265304 1.00 PRKCQ (0.39) PRKCQPLK1ALKCYP1A2CYP3A4
SCHEMBL1266680 0.91 PRKCQ (0.38) PRKCQPLK1ALKCYP1A2CYP3A4
SCHEMBL1266682 0.91 PRKCQ (0.38) PRKCQPLK1ALKCYP1A2CYP3A4
SCHEMBL1264852 0.90 ENPP2 (0.40) ALKCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1264853 0.90 ENPP2 (0.40) ALKCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1475201 0.89 PRKCQ (0.39) PRKCQALKCYP1A2CYP3A4CYP2D6
SCHEMBL1475204 0.89 PRKCQ (0.39) PRKCQALKCYP1A2CYP3A4CYP2D6
SCHEMBL1474749 0.85 PRKCQ (0.43) PRKCQPLK1CYP1A2CYP3A4CYP2D6
SCHEMBL4589787 0.82 PRKCQ (0.42) PRKCQALKMAPTGAA
SCHEMBL12898542 0.82 PRKCQ (0.42) 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 8 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-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 2701/4885PLK1 4377/4885ALK 4457/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 PRKCQ 2139/4885PLK1 4692/4885ALK 3338/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 PRKCQ 2139/4885PLK1 4692/4885ALK 3338/4885

“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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