SCHEMBL3920102

SCHEMBL3920102

CCc1nccnc1-c1cc(C2CCCN2)on1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 1/20 0.39
CHRM2 P08172 5/20 0.36
CHRM5 P08912 5/20 0.36
CHRM3 P20309 5/20 0.36
CHRM4 P08173 4/20 0.36
CHRM1 P11229 4/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
CHRNA5 P30532 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
RET P07949 1/20 0.32
NR1H4 Q96RI1 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
SCHEMBL3920096 1.00 CHRNB2 (0.39) CHRNB2CHRNA4CHRM2CHRM5CHRM3
SCHEMBL4914002 0.91 CHRNB2 (0.32) CHRNB2CHRNA4CHRNA5CHRNB4CHRNA3
SCHEMBL4909657 0.91 CHRNB2 (0.32) CHRNB2CHRNA4CHRNA5CHRNB4CHRNA3
SCHEMBL3917360 0.86 CHRNB2 (0.38) CHRNB2CHRNA4CHRM2CHRM5CHRM3
SCHEMBL3917354 0.86 CHRNB2 (0.38) CHRNB2CHRNA4CHRM2CHRM5CHRM3
SCHEMBL3920167 0.84 CHRM2 (0.41) CHRNB2CHRNA4CHRM2CHRM5CHRM3
SCHEMBL3920163 0.84 CHRM2 (0.41) CHRNB2CHRNA4CHRM2CHRM5CHRM3
SCHEMBL3850116 0.83 CHRNB2 (0.39) CHRNB2CHRNA4CHRM2CHRM5CHRM3
SCHEMBL3850112 0.83 CHRNB2 (0.39) CHRNB2CHRNA4CHRM2CHRM5CHRM3
SCHEMBL3922220 0.82 CHRNB2 (0.37) 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.