SCHEMBL29774282

SCHEMBL29774282

CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/CN(C)C)C1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.58
ALDH1A1 P00352 9/20 0.57
GAA P10253 1/20 0.57
KDM4E B2RXH2 1/20 0.55
MAPT P10636 2/20 0.55
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 2/20 0.49
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL29774271 0.86 MAPT (0.61) ALDH1A1GAAKDM4EMAPTCYP2C19
SCHEMBL20839691 0.83 JAK3 (0.46) HTTALDH1A1GAA
SCHEMBL20839689 0.83 JAK3 (0.46) HTTALDH1A1GAA
SCHEMBL18284918 0.82 ALDH1A1 (0.51) ALDH1A1
SCHEMBL18284920 0.82 ALDH1A1 (0.51) ALDH1A1
Lithium Ion SCHEMBL29774291 0.81 CA12 (0.46) HTTALDH1A1MAPT
SCHEMBL29774313 0.81 SMN1; SMN2 (0.46) ALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL6816668 0.79 ALDH1A1 (0.63) HTTALDH1A1GAAKDM4EMAPT
SCHEMBL6816673 0.79 ALDH1A1 (0.63) HTTALDH1A1GAAKDM4EMAPT
SCHEMBL18909691 0.78 JAK3 (0.46)

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 HTT 839/4885ALDH1A1 4568/4885GAA 3448/4885

“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.