SCHEMBL12898519

SCHEMBL12898519

CC(C)(C)[Si](C)(C)OCCC(O)c1cccnc1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
HIF1A Q16665 1/20 0.34
BLM P54132 1/20 0.33
FAAH O00519 10/20 0.33
TDP1 Q9NUW8 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
POLB P06746 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL1265501 1.00 ADRB2 (0.34) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL4773268 0.74 FAAH (0.33) FAAHTDP1CNR1CNR2POLB
SCHEMBL1266137 0.74 LMNA (0.38) FAAHCNR1CNR2
SCHEMBL12898525 0.74 LMNA (0.38) FAAHCNR1CNR2
SCHEMBL22481143 0.73 ADRB2 (0.63) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL27094502 0.73 RIPK1 (0.53)
SCHEMBL1520904 0.73 RIPK1 (0.53)
SCHEMBL1807389 0.73
SCHEMBL28369160 0.72 ADRB2 (0.43) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL29418757 0.72 ADRB2 (0.43) ADRB2ADRB1CYP2D6NFKB1HIF1A

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 5 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-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 ADRB2 674/4885ADRB1 300/4885CYP2D6 775/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 ADRB2 674/4885ADRB1 300/4885CYP2D6 775/4885

“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.