SCHEMBL12898995

SCHEMBL12898995

O=c1[nH]c2cnc(-n3cnc4ccccc43)nc2n1Cc1cnccn1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.55
JAK3 P52333 17/20 0.55
GABRA1 P14867 1/20 0.43
GABRA5 P31644 1/20 0.43
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
USP1 O94782 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
SCHEMBL12898971 0.90 JAK2 (0.57) JAK2JAK3MKNK1MKNK2
SCHEMBL12898884 0.87 JAK2 (0.56) JAK2JAK3MKNK1MKNK2
SCHEMBL12898775 0.87 JAK2 (0.61) JAK2JAK3MKNK2
SCHEMBL1265665 0.87 JAK2 (0.71) JAK2JAK3MKNK2
SCHEMBL12899074 0.86 JAK2 (0.57) JAK2JAK3MKNK1MKNK2USP1
SCHEMBL12899058 0.85 JAK2 (0.52) JAK2JAK3GABRA1GABRA5
SCHEMBL1264838 0.85 JAK2 (0.54) JAK2JAK3GABRA1GABRA5
SCHEMBL12899116 0.84 GABRA1 (0.41) JAK2JAK3GABRA1GABRA5MKNK1
SCHEMBL12899059 0.83 JAK2 (0.54) JAK2JAK3MKNK1MKNK2
SCHEMBL12898922 0.82 MKNK1 (0.54) JAK2JAK3MKNK1MKNK2

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 3 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-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 JAK2 2995/4885JAK3 1092/4885GABRA1 2887/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 JAK2 2995/4885JAK3 1092/4885GABRA1 2887/4885

“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.