SCHEMBL3274181

SCHEMBL3274181

Nc1nc2ncnc-2c(-c2cncs2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
CHEK1 O14757 1/20 0.31
CHEK2 O96017 1/20 0.31
IMPDH2 P12268 1/20 0.31

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
SCHEMBL3273070 0.77 CDK5 (0.48)
SCHEMBL3269031 0.72 PDGFRB (0.32)
SCHEMBL3275293 0.69 CYP3A4 (0.40)
SCHEMBL3269209 0.69 HPGDS (0.38) IDO1
2,6-Diaminopurine SCHEMBL2316818 0.68 KDM4E (0.32)
SCHEMBL3273300 0.67 CCR1 (0.42)
6-Chloroguanine SCHEMBL3268234 0.65 MMP12 (0.33)
SCHEMBL3269477 0.65 L3MBTL1 (0.35)
SCHEMBL3272888 0.65 CDK5 (0.49)
SCHEMBL3269217 0.64 ADORA2A (0.35)

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
EP-1349857-B1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2010-06-16 EP disclosed
US-7452894-B2 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-11-18 US disclosed
US-20060270691-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2006-11-30 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 (1 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-20060270691-A1 Purine derivatives as purinergic receptor antagonists CHRNA10, CHRNA5, CHRNA4 IDO1 1809/4885CHEK1 2695/4885CHEK2 2801/4885

“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.