SCHEMBL1264853

SCHEMBL1264853

COc1ccc(CNc2ccc(C#N)cc2Nc2ncc(N)c(NC3CCOc4ccc(F)cc43)n2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ LRRK2 Q5S007 3/20 0.37
▸ CYP1A2 P05177 7/20 0.36
▸ CYP3A4 P08684 7/20 0.36
▸ CYP2D6 P10635 6/20 0.36
▸ TSHR P16473 6/20 0.36
▸ CYP2C19 P33261 6/20 0.36
▸ CLK4 Q9HAZ1 4/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ CYP2C9 P11712 4/20 0.35
▸ USP2 O75604 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ SYK P43405 2/20 0.34
▸ MEN1 O00255 2/20 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
SCHEMBL1264852 1.00 ENPP2 (0.40) ENPP2MAPTLRRK2CYP1A2CYP3A4
SCHEMBL1266965 0.91 MAPT (0.39) ENPP2MAPTLRRK2CYP1A2CYP3A4
SCHEMBL1266967 0.91 MAPT (0.39) ENPP2MAPTLRRK2CYP1A2CYP3A4
SCHEMBL1265307 0.90 PRKCQ (0.39) ENPP2MAPTLRRK2CYP1A2CYP3A4
SCHEMBL1265304 0.90 PRKCQ (0.39) ENPP2MAPTLRRK2CYP1A2CYP3A4
SCHEMBL4590742 0.81 JAK3 (0.39) ENPP2MAPTLMNAJAK3SYK
SCHEMBL12898540 0.81 JAK3 (0.39) ENPP2MAPTLMNAJAK3SYK
SCHEMBL1266680 0.81 PRKCQ (0.38) MAPTLRRK2CYP1A2CYP3A4CYP2D6
SCHEMBL1266682 0.81 PRKCQ (0.38) MAPTLRRK2CYP1A2CYP3A4CYP2D6
SCHEMBL12898446 0.79 ALK (0.33) ENPP2MAPTLRRK2CYP1A2CYP3A4

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-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-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 (2 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-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 ENPP2 190/4885MAPT 4620/4885LRRK2 4583/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 ENPP2 190/4885MAPT 4620/4885LRRK2 4583/4885

“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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