SCHEMBL3920163

SCHEMBL3920163

Cc1nccnc1-c1cc([C@@H]2CCCN2)on1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.41
CHRM5 P08912 5/20 0.41
CHRM3 P20309 5/20 0.41
CHRM4 P08173 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.36
CHRNA5 P30532 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
RET P07949 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
SCHEMBL3920167 1.00 CHRM2 (0.41) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL4917368 0.91 CHRNB2 (0.34) CHRNB2CHRNA4IRAK4CHRNA5CHRNB4
SCHEMBL4920078 0.91 CHRNB2 (0.34) CHRNB2CHRNA4IRAK4CHRNA5CHRNB4
SCHEMBL3930112 0.84 CHRNB2 (0.41) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL3917386 0.84 CHRNB2 (0.41) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL3850112 0.84 CHRNB2 (0.39) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL3920096 0.84 CHRNB2 (0.39) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL3920102 0.84 CHRNB2 (0.39) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL3850116 0.84 CHRNB2 (0.39) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL3917360 0.82 CHRNB2 (0.38) CHRM2CHRM5CHRM3CHRM4CHRM1

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 CHRM2 4720/4885CHRM5 4678/4885CHRM3 4726/4885
US-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors IGF1R, IGFBP1, IRS1 CHRM2 4802/4885CHRM5 4799/4885CHRM3 4745/4885
US-20090306116-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY IGF1R, IGFBP1, IRS1 CHRM2 4612/4885CHRM5 4491/4885CHRM3 4488/4885

“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.