SCHEMBL23522706

SCHEMBL23522706

CC(C)(C)OC(=O)NCc1nc2cc(Cl)c(Cl)cc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.62
CACNA1H O95180 3/20 0.55
CACNA1B Q00975 1/20 0.55
CACNA1C Q13936 1/20 0.55
PRKAG1 P54619 2/20 0.50
PRKAA2 P54646 2/20 0.50
PRKAB1 Q9Y478 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
PRKAA1 Q13131 1/20 0.50
EGLN1 Q9GZT9 1/20 0.47
PRCP P42785 1/20 0.45
BCHE P06276 1/20 0.42
RHEB Q15382 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
KDM4A O75164 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
LMNA P02545 1/20 0.40
GRIK1 P39086 1/20 0.40

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
SCHEMBL10030830 0.88 PRKAG1 (0.54) CACNA1GCACNA1HCACNA1BCACNA1CPRKAG1
SCHEMBL4149629 0.85 CACNA1H (0.53) CACNA1GCACNA1HCACNA1BCACNA1CGAA
SCHEMBL15243340 0.85 CACNA1H (0.53) CACNA1GCACNA1HCACNA1BCACNA1CBCHE
SCHEMBL19494569 0.81 SMN1; SMN2 (0.62) CACNA1HCACNA1BCACNA1CBCHESMN1; SMN2
SCHEMBL30313258 0.81 CACNA1H (0.54) CACNA1GCACNA1HCACNA1BCACNA1CBCHE
SCHEMBL25155380 0.81 CACNA1H (0.51) CACNA1GCACNA1HCACNA1BCACNA1CBCHE
SCHEMBL31360370 0.81 CACNA1H (0.51) CACNA1GCACNA1HCACNA1BCACNA1CBCHE
SCHEMBL15584882 0.81 CACNA1H (0.53) CACNA1GCACNA1HCACNA1BCACNA1CGAA
SCHEMBL15584671 0.81 CACNA1H (0.53) CACNA1GCACNA1HCACNA1BCACNA1CBCHE
SCHEMBL23731882 0.81 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CHTTEGLN1

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
US-11666578-B2 Small molecule inhibitors of CDK12/CDK13 THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-06-06 US disclosed
US-11666578-B2 Small molecule inhibitors of CDK12/CDK13 THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-06-06 US disclosed
US-11666578-B2 Small molecule inhibitors of CDK12/CDK13 THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-06-06 US disclosed
US-20210186979-A1 SMALL MOLECULE INHIBITORS OF CDK12/CDK13 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-24 US disclosed
US-20210186979-A1 SMALL MOLECULE INHIBITORS OF CDK12/CDK13 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-24 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-20210186979-A1 SMALL MOLECULE INHIBITORS OF CDK12/CDK13 CDK12, CDK1, CDK13 CACNA1G 4318/4885CACNA1H 4453/4885CACNA1B 4047/4885
US-11666578-B2 Small molecule inhibitors of CDK12/CDK13 CDK12, CDK1, CDK13 CACNA1G 4318/4885CACNA1H 4453/4885CACNA1B 4047/4885

“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.