SCHEMBL19600179

SCHEMBL19600179

COc1c(OCCCN2CCOCC2)ccc(C=O)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.54
TSHR P16473 2/20 0.54
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR2A P28223 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 2/20 0.46
HTR1A P08908 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
SCN1A P35498 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN2A Q99250 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SCN3A Q9NY46 1/20 0.46

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
SCHEMBL23965931 0.87 CYP2D6 (0.53) CYP2D6TSHRKEAP1NFE2L2HRH3
SCHEMBL17727606 0.84 CYP2D6 (0.54) CYP2D6TSHRKEAP1NFE2L2HRH3
SCHEMBL11367106 0.81 ALDH1A1 (0.56) CYP2D6TSHRKEAP1NFE2L2HRH3
SCHEMBL11378620 0.80 ALDH1A1 (0.55) CYP2D6TSHRKEAP1NFE2L2HRH3
SCHEMBL23965963 0.78 TSHR (0.43) CYP2D6TSHRKEAP1NFE2L2HRH3
SCHEMBL4312079 0.78 CYP2D6 (0.47) CYP2D6TSHRKDM4EALDH1A1CYP1A2
SCHEMBL11376649 0.78 CYP2D6 (0.77) CYP2D6TSHRKEAP1NFE2L2KDM4E
SCHEMBL11507359 0.77 KDM4E (0.66) CYP2D6TSHRKEAP1NFE2L2HRH3
SCHEMBL14216877 0.77 ALDH1A1 (0.64) CYP2D6TSHRKDM4ETDP1ALDH1A1
SCHEMBL30462836 0.77 ALDH1A1 (0.64) CYP2D6TSHRKDM4ETDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035803-B2 Synthesis of copanlisib and its dihydrochloride salt BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-31 US disclosed
US-20170327505-A1 SYNTHESIS OF COPANLISIB AND ITS DIHYDROCHLORIDE SALT BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-16 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 (2 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-10035803-B2 Synthesis of copanlisib and its dihydrochloride salt COPS2, COPS6, COPS4 CYP2D6 2194/4885TSHR 4063/4885KEAP1 2361/4885
US-20170327505-A1 SYNTHESIS OF COPANLISIB AND ITS DIHYDROCHLORIDE SALT COPS2, COPS6, COPS4 CYP2D6 2194/4885TSHR 4063/4885KEAP1 2361/4885

“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.