Sugi Predict

Sugi Predict / Compounds / SCHEMBL1266596

SCHEMBL1266596

SCHEMBL1266596

COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(N)c(NC(C)c3cccnc3)n2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 6/20 0.38
▸ CYP3A4 P08684 6/20 0.38
▸ CYP2C19 P33261 5/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ GAA P10253 3/20 0.38
▸ CYP2D6 P10635 5/20 0.38
▸ CLK4 Q9HAZ1 5/20 0.38
▸ HSD17B10 Q99714 5/20 0.36
▸ LMNA P02545 4/20 0.36
▸ TSHR P16473 4/20 0.36
▸ USP2 O75604 3/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ ABCB1 P08183 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
SCHEMBL1266597 1.00 KDM4E (0.40) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1265336 0.88 ALDH1A1 (0.38) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1265335 0.88 ALDH1A1 (0.38) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1265629 0.79 ALDH1A1 (0.43) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1265396 0.77 KDM4E (0.40) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1265395 0.77 KDM4E (0.40) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL13731989 0.77 GAA (0.38) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL30705376 0.76 POLB (0.44) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
Acetic Acid SCHEMBL13732453 0.75 POLB (0.38) KDM4EALDH1A1GAALMNATSHR
SCHEMBL3834871 0.74 MAPT (0.39) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9

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 KDM4E 878/4885ALDH1A1 298/4885CYP1A2 965/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 KDM4E 1491/4885ALDH1A1 514/4885CYP1A2 887/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 KDM4E 1491/4885ALDH1A1 514/4885CYP1A2 887/4885

“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.