SCHEMBL1266673

SCHEMBL1266673

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.56
▸ CYP1A2 P05177 5/20 0.47
▸ CYP3A4 P08684 5/20 0.47
▸ CYP2D6 P10635 4/20 0.47
▸ TSHR P16473 4/20 0.47
▸ CYP2C19 P33261 4/20 0.47
▸ CLK4 Q9HAZ1 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ USP2 O75604 3/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ TP53 P04637 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ DHFR P00374 4/20 0.41
▸ KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL12828816 0.82 CYP1A2 (0.44) MAPTCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1265017 0.80 CYP3A4 (0.52) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL1265128 0.79 CYP1A2 (0.43) MAPTCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1264853 0.77 ENPP2 (0.40) MAPTCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1264852 0.77 ENPP2 (0.40) MAPTCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1266965 0.77 MAPT (0.39) MAPTCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1266967 0.77 MAPT (0.39) MAPTCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL12828976 0.75 MERTK (0.41) MAPTCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1474749 0.75 PRKCQ (0.43) MAPTCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL16177694 0.72 CYP1A2 (0.62) MAPTCYP1A2CYP3A4CYP2D6TSHR

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
EP-1874772-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-01-09 — — EP disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 — — US disclosed
WO-2006108103-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2006-10-12 — — WO 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 MAPT 4620/4885CYP1A2 887/4885CYP3A4 702/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 MAPT 4620/4885CYP1A2 887/4885CYP3A4 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.

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