SCHEMBL3918329

SCHEMBL3918329

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
IRAK4 Q9NWZ3 2/20 0.42
CHRM5 P08912 5/20 0.37
CHRM3 P20309 5/20 0.37
CHRM2 P08172 5/20 0.37
CHRM1 P11229 4/20 0.37
CHRM4 P08173 4/20 0.37
CHRNA7 P36544 1/20 0.36
IKBKB O14920 1/20 0.36
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL3929077 1.00 CHRNB2 (0.47) CHRNB2CHRNA4IRAK4CHRM5CHRM3
SCHEMBL4918812 0.92 IRAK4 (0.36) CHRNB2CHRNA4IRAK4
SCHEMBL4917066 0.92 IRAK4 (0.36) CHRNB2CHRNA4IRAK4
SCHEMBL3918221 0.82 CHRNB2 (0.50) CHRNB2CHRNA4IRAK4CHRM5CHRM3
SCHEMBL3922338 0.82 CHRNB2 (0.50) CHRNB2CHRNA4IRAK4CHRM5CHRM3
SCHEMBL3919389 0.82 CHRNB2 (0.50) CHRNB2CHRNA4IRAK4CHRM5CHRM3
SCHEMBL3922331 0.82 CHRNB2 (0.50) CHRNB2CHRNA4IRAK4CHRM5CHRM3
SCHEMBL3852340 0.80 CHRNB2 (0.47) CHRNB2CHRNA4IRAK4CHRM5CHRM3
SCHEMBL3930356 0.80 CHRNB2 (0.47) CHRNB2CHRNA4IRAK4CHRM5CHRM3
SCHEMBL3852338 0.80 CHRNB2 (0.47) CHRNB2CHRNA4IRAK4CHRM5CHRM3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306116-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY ASTRAZENECA AB (SE) 2009-12-10 US disclosed
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-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors ASRAZENECA (SE) 2008-07-17 US disclosed
US-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents ASTRAZENECA AB (SE) 2008-07-10 US disclosed
EP-1931662-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY AstraZeneca AB (SE) 2008-06-18 EP disclosed
EP-1871771-A1 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS AstraZeneca AB (SE) 2008-01-02 EP disclosed
EP-1869032-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2007031745-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY ASTRAZENECA AB (SE) 2007-03-22 WO disclosed
WO-2006109026-A1 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-19 WO 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 (3 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 4816/4885IRAK4 1306/4885
US-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors IGF1R, IGFBP1, IRS1 CHRNB2 4564/4885CHRNA4 4629/4885IRAK4 200/4885
US-20090306116-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY IGF1R, IGFBP1, IRS1 CHRNB2 4477/4885CHRNA4 4553/4885IRAK4 267/4885

“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.