SCHEMBL29774283

SCHEMBL29774283

CC(C)(C)OC(=O)N1CCN(Cc2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PIK3CA P42336 1/20 0.40
ACHE P22303 2/20 0.40
TGFBR1 P36897 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
NSD2 O96028 1/20 0.39
HTR6 P50406 3/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL20840009 1.00 CCNK (0.41) CCNKCDK12CHRM2CHRM4CHRM1
SCHEMBL22285860 0.87 PTGDR2 (0.40) CA12CA1CA2CA7HTR6
SCHEMBL22285832 0.83 HTR6 (0.53) HTR6PTGDR2
SCHEMBL22285856 0.82 CCNK (0.63) CCNKCDK12CHRM2CHRM4CHRM1
SCHEMBL4306971 0.81 GPR119 (0.41) PIK3CAACHETGFBR1GPR119HTR6
SCHEMBL4318186 0.78 HTR6 (0.53) GPR119HTR6
SCHEMBL20928030 0.75 PIK3CA (0.48) PIK3CAACHETGFBR1GPR119HTR6
SCHEMBL22568803 0.75 PIK3CA (0.50) PIK3CAACHEGPR119KDM4EALDH1A1
SCHEMBL15645284 0.75 PIK3C3 (0.46) HTR6PTGDR2
SCHEMBL32671069 0.75 PIK3C3 (0.46) HTR6PTGDR2

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
EP-3684776-B1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE UNIV NOTTINGHAM (GB) 2023-11-01 EP disclosed
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase UNIV NOTTINGHAM (GB) 2022-08-09 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-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 CCNK 18/4885CDK12 3/4885CHRM2 3487/4885

“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.