SCHEMBL93023

SCHEMBL93023

COc1c(O)ccc(C=O)c1N=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 1/20 0.54
ERN1 O75460 8/20 0.46
TRIM24 O15164 3/20 0.46
TRIM33 Q9UPN9 3/20 0.46
TYR P14679 2/20 0.46
ALDH1A1 P00352 3/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
HPGD P15428 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
MAOA P21397 1/20 0.36
AOX1 Q06278 1/20 0.35

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
SCHEMBL1535289 0.81 ALDH1A1 (0.44) CA1CA2ERN1ALDH1A1TLR2
SCHEMBL29459741 0.80 CA1 (0.69) CA1CA2ERN1TRIM24TRIM33
SCHEMBL1003414 0.80 CA1 (0.69) CA1CA2ERN1TRIM24TRIM33
SCHEMBL1005010 0.78 CA1 (0.61) CA1CA2ERN1TRIM24TRIM33
SCHEMBL29459651 0.78 CA1 (0.61) CA1CA2ERN1TRIM24TRIM33
SCHEMBL7939012 0.77 CA1 (0.59) CA1CA2ERN1TRIM24TRIM33
SCHEMBL1361643 0.77 CA1 (0.59) CA1CA2ERN1TRIM24TRIM33
SCHEMBL92973 0.76 ALDH1A1 (0.40) CA1CA2ERN1ALDH1A1TLR2
SCHEMBL1396832 0.76 CA1 (0.54) CA1CA2ERN1TRIM24TRIM33
SCHEMBL8313384 0.76 ERN1 (0.54) ERN1TRIM24TRIM33TYRALDH1A1

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
CN-107278204-A Copanlisib and its dihydrochloride synthesis 拜耳制药股份公司 2017-10-20 CN disclosed
CN-107074776-A Synthesis of Copanlisib and its Dihydrochloride 拜耳制药股份公司 2017-08-18 CN disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 CA1 2126/4885CA2 1581/4885ERN1 3061/4885

“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.