SCHEMBL29472137

SCHEMBL29472137

CN1CCN(C(=O)c2ccc3cc(CCNc4ccnc5ccc(C#N)cc45)ccc3c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 15/20 1.00
CCNC P24863 14/20 1.00
CDK19 Q9BWU1 5/20 1.00
MAP4K2 Q12851 2/20 1.00
HASPIN Q8TF76 2/20 1.00
CDK1 P06493 6/20 0.77

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
SCHEMBL21750429 1.00 CDK8 (1.00) CDK8CCNCCDK19MAP4K2HASPIN
Hydrochloric Acid SCHEMBL29472145 0.99 CDK8 (0.98) CDK8CCNCCDK19MAP4K2HASPIN
SCHEMBL23780572 0.93 CDK8 (1.00) CDK8CCNCCDK19MAP4K2HASPIN
SCHEMBL29472163 0.91 CDK8 (1.00) CDK8CCNCCDK19MAP4K2HASPIN
SCHEMBL21750435 0.91 CDK8 (1.00) CDK8CCNCCDK19MAP4K2HASPIN
SCHEMBL26844095 0.90 CDK8 (0.82) CDK8CCNCCDK19MAP4K2HASPIN
SCHEMBL23780576 0.90 CDK8 (1.00) CDK8CCNCCDK19MAP4K2HASPIN
SCHEMBL21750436 0.90 CDK8 (1.00) CDK8CCNCCDK19MAP4K2HASPIN
SCHEMBL23780565 0.90 CDK8 (1.00) CDK8CCNCCDK19MAP4K2HASPIN
SCHEMBL23780573 0.89 CDK8 (1.00) CDK8CCNCCDK19MAP4K2HASPIN

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-20220098160-A1 NOVEL CDK 8/19 INHIBITORS BIOCAD (RU) 2022-03-31 US claimed
US-20240390386-A1 CDK8/19 INHIBITORS FOR PREVENTING DRUG RESISTANCE UNIVERSITY OF SOUTH CAROLINA 2024-11-28 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-20220098160-A1 NOVEL CDK 8/19 INHIBITORS CDK8, CDK9, CDK18 CDK8 1/4885CCNC 35/4885CDK19 5/4885

“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.