SCHEMBL4100979

SCHEMBL4100979

COc1ccc(Cn2cc3[nH]c(=O)[nH]c(=O)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.47
CMA1 P23946 1/20 0.43
AADAT Q8N5Z0 1/20 0.42
MAT2A P31153 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ADORA1 P30542 1/20 0.41
LIG1 P18858 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
DAO P14920 1/20 0.39
TYMS P04818 1/20 0.39

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
SCHEMBL14323629 0.81 ADORA3 (0.76) ADORA3MAT2AADORA1MEN1KMT2A
SCHEMBL14323999 0.81 ADORA3 (0.58) ADORA3MAT2AGSK3AGSK3BADORA1
SCHEMBL404971 0.78 ADORA3 (0.55) ADORA3MAT2AADORA1MEN1KMT2A
SCHEMBL406009 0.78 ADORA3 (0.55) ADORA3MAT2AADORA1
SCHEMBL18798765 0.78 ADORA3 (0.73) ADORA3CMA1AADATMEN1KMT2A
SCHEMBL28722528 0.78 ADORA3 (0.56) ADORA3CMA1AADATMAT2AGSK3A
SCHEMBL23037523 0.77 ADORA3 (0.54) ADORA3AADATMAT2AADORA1MEN1
SCHEMBL14323731 0.77 ADORA3 (0.54) ADORA3MAT2AADORA1MEN1KMT2A
SCHEMBL28525236 0.76 ADORA3 (0.56) ADORA3CMA1AADATMEN1KMT2A
SCHEMBL23037496 0.75 ADORA3 (0.47) ADORA3AADATMAT2AADORA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US claimed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP claimed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP 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-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 ADORA3 275/4885CMA1 2884/4885AADAT 1959/4885

“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.