SCHEMBL12898531

SCHEMBL12898531

COc1ccc(CNc2cc(F)ccc2N)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.54
KDM4C Q9H3R0 1/20 0.47
CYP3A4 P08684 6/20 0.46
CYP1A2 P05177 5/20 0.46
CYP2D6 P10635 5/20 0.46
TSHR P16473 5/20 0.46
CYP2C19 P33261 5/20 0.46
USP2 O75604 2/20 0.46
DHFR P00374 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL5667628 0.85 APLNR (0.55) APLNRKDM4CCYP3A4CYP1A2CYP2D6
SCHEMBL13898070 0.84 APLNR (0.54) APLNRKDM4CCYP3A4CYP1A2CYP2D6
SCHEMBL24636086 0.81 APLNR (0.56) APLNRKDM4CCYP3A4CYP1A2CYP2D6
SCHEMBL14542286 0.80 HTR2A (0.54) APLNRKDM4CCYP3A4CYP1A2CYP2D6
SCHEMBL1265272 0.79 MAPT (0.50) APLNRKDM4CCYP3A4CYP1A2CYP2D6
SCHEMBL15400259 0.79 APLNR (0.61) APLNRCYP3A4CYP1A2CYP2D6TSHR
SCHEMBL4599467 0.79 APLNR (0.54) APLNRKDM4CCYP3A4CYP1A2CYP2D6
SCHEMBL28273319 0.79 APLNR (0.54) APLNRKDM4CCYP3A4CYP1A2CYP2D6
SCHEMBL27972158 0.79 APLNR (0.54) APLNRKDM4CCYP3A4CYP1A2CYP2D6
SCHEMBL28859609 0.79 APLNR (0.54) APLNRKDM4CCYP3A4CYP1A2CYP2D6

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 APLNR 1567/4885KDM4C 954/4885CYP3A4 1539/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 APLNR 2236/4885KDM4C 2005/4885CYP3A4 702/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 APLNR 2236/4885KDM4C 2005/4885CYP3A4 702/4885

“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.