SCHEMBL3850112

SCHEMBL3850112

COc1nccnc1-c1cc([C@@H]2CCCN2)on1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
PDCD1LG2 Q9BQ51 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
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
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CHRNA5 P30532 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL3850116 1.00 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3PDCD1LG2
SCHEMBL4920057 0.91 CHRNB4 (0.32) CHRNB2CHRNB4CHRNA3CHRNA5
SCHEMBL4914568 0.91 CHRNB4 (0.32) CHRNB2CHRNB4CHRNA3CHRNA5
SCHEMBL3917354 0.88 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL3917360 0.88 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL3920163 0.84 CHRM2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL3920167 0.84 CHRM2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL3920102 0.83 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL3920096 0.83 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL3852338 0.82 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3PDCD1LG2

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
US-7579349-B2 4-(pyrazol-3-ylamino) pyrimidine derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-25 US disclosed
EP-1678169-B1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-07-22 EP disclosed
US-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors ASRAZENECA (SE) 2008-07-17 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
WO-2007031745-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY ASTRAZENECA AB (SE) 2007-03-22 WO disclosed
US-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity ASTRAZENECA AB (SE) 2007-02-15 US disclosed
WO-2006109026-A1 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-19 WO disclosed
EP-1678169-A1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040159-A1 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-05-06 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-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors IGF1R, IGFBP1, IRS1 CHRNB2 4564/4885CHRNA4 4629/4885CHRNB4 4615/4885
US-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity IGF1R, IGFBP1, GPR119 CHRNB2 3865/4885CHRNA4 3879/4885CHRNB4 3918/4885
US-20090306116-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY IGF1R, IGFBP1, IRS1 CHRNB2 4477/4885CHRNA4 4553/4885CHRNB4 4539/4885

“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.