SCHEMBL3922331

SCHEMBL3922331

Cc1ncccc1-c1cc([C@@H]2CCCN2)on1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
CHRM2 P08172 5/20 0.42
CHRM5 P08912 5/20 0.42
CHRM3 P20309 5/20 0.42
CHRM4 P08173 4/20 0.42
CHRM1 P11229 4/20 0.42
CHRNA7 P36544 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL3918221 1.00 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM5CHRM3
SCHEMBL4911791 0.91 CHRNB2 (0.39) CHRNB2CHRNA4
SCHEMBL4920115 0.91 CHRNB2 (0.39) CHRNB2CHRNA4
SCHEMBL3919389 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM5CHRM3
SCHEMBL3922338 0.85 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM5CHRM3
SCHEMBL3852338 0.85 CHRNB2 (0.47) CHRNB2CHRNA4CHRM2CHRM5CHRM3
SCHEMBL3930353 0.85 CHRNB2 (0.47) CHRNB2CHRNA4CHRM2CHRM5CHRM3
SCHEMBL3852340 0.85 CHRNB2 (0.47) CHRNB2CHRNA4CHRM2CHRM5CHRM3
SCHEMBL3930356 0.85 CHRNB2 (0.47) CHRNB2CHRNA4CHRM2CHRM5CHRM3
SCHEMBL21065109 0.83 HCRTR2 (0.47) CHRNB2CHRNA4CHRM2CHRM5CHRM3

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
EP-1869032-B8 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-03-25 EP disclosed
EP-1869032-B1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2008-08-13 EP disclosed
US-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents ASTRAZENECA AB (SE) 2008-07-10 US disclosed
EP-1869032-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006106307-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 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 (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-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents IGF1R, TYMP, IGFBP1 CHRNB2 4819/4885CHRNA4 4816/4885CHRM2 4720/4885

“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.