SCHEMBL12898372

SCHEMBL12898372

CC(C)[C@@H]1CCOc2c(F)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.47
TERT O14746 1/20 0.40
ADRA2B P18089 1/20 0.35
ADRA1A P35348 1/20 0.35
MAP3K14 Q99558 1/20 0.35
JAK2 O60674 9/20 0.33
JAK3 P52333 9/20 0.33
JAK1 P23458 5/20 0.33
TAAR1 Q96RJ0 2/20 0.33
CYP2D6 P10635 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
DCLK1 O15075 1/20 0.32
PDPK1 O15530 1/20 0.32
ROCK2 O75116 1/20 0.32
RPS6KA5 O75582 1/20 0.32
PRKD3 O94806 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
SCHEMBL12898374 1.00 ADRA2A (0.47) ADRA2ATERTADRA2BADRA1AMAP3K14
SCHEMBL12751055 1.00 ADRA2A (0.47) ADRA2ATERTADRA2BADRA1AMAP3K14
SCHEMBL12705521 0.85 ADRA2A (0.48) ADRA2AADRA2BADRA1AMAP3K14TAAR1
SCHEMBL14217773 0.85 ADRA2A (0.43) ADRA2ATERTADRA2BADRA1AJAK2
SCHEMBL24873403 0.81 ADRA2A (0.47) ADRA2AADRA2BADRA1AMAP3K14JAK2
SCHEMBL13498384 0.78 ADRA2A (0.50) ADRA2ATERTADRA2BADRA1AMAP3K14
SCHEMBL14197670 0.78 ADRA2A (0.50) ADRA2ATERTADRA2BADRA1AMAP3K14
SCHEMBL12828516 0.78 ADRA2A (0.50) ADRA2ATERTADRA2BADRA1AMAP3K14
SCHEMBL22143945 0.78 ADRA2A (0.50) ADRA2ATERTADRA2BADRA1AMAP3K14
SCHEMBL4755702 0.78 ADRA2A (0.50) ADRA2ATERTADRA2BADRA1AMAP3K14

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 ADRA2A 610/4885TERT 4685/4885ADRA2B 259/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 ADRA2A 754/4885TERT 4239/4885ADRA2B 615/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 ADRA2A 754/4885TERT 4239/4885ADRA2B 615/4885

“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.