SCHEMBL31189709

SCHEMBL31189709

COC(=O)c1[nH]cc(-c2ccncc2)c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 8/20 0.68
CDK8 P49336 8/20 0.68
CYP46A1 Q9Y6A2 1/20 0.51
DYRK1A Q13627 2/20 0.48
NEK1 Q96PY6 1/20 0.47
HTT P42858 1/20 0.46
IMPDH2 P12268 2/20 0.45
AXL P30530 1/20 0.45
CLK2 P49760 2/20 0.43
CLK1 P49759 1/20 0.43
CLK3 P49761 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39

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
SCHEMBL26113876 0.87 CCNC (0.63) CCNCCDK8CYP46A1DYRK1ANEK1
SCHEMBL16115990 0.85 CCNC (0.65) CCNCCDK8IMPDH2
SCHEMBL26110779 0.84 NEK1 (0.53) CCNCCDK8DYRK1ANEK1HTT
SCHEMBL30590619 0.84 NEK1 (0.53) CCNCCDK8DYRK1ANEK1HTT
SCHEMBL16115895 0.84 CCNC (0.68) CCNCCDK8CYP46A1DYRK1ANEK1
SCHEMBL16115221 0.83 CCNC (0.74) CCNCCDK8DYRK1AIMPDH2CLK2
SCHEMBL16116379 0.81 CCNC (1.00) CCNCCDK8DYRK1AIMPDH2CLK2
SCHEMBL6370434 0.78 HTR3A (0.47) CCNCCDK8CYP46A1NEK1
SCHEMBL6377962 0.78 HTR3A (0.47) CCNCCDK8CYP46A1NEK1
SCHEMBL31555567 0.72 IMPDH2 (0.57) CCNCCDK8IMPDH2PKN1PKN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459951-B2 Compounds that interact with RAS superfamily proteins for treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY THERAPEUTICS, LLC (US) 2025-11-04 US disclosed
CN-119365460-A Compounds that interact with Ras superfamily proteins for the treatment of cancer, inflammatory diseases, RAS diseases, and fibrotic diseases 尚医治疗有限责任公司 2025-01-24 CN disclosed
US-20240360141-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2024-10-31 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-12459951-B2 Compounds that interact with RAS superfamily proteins for treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease KRAS, HRAS, NRAS CCNC 1245/4885CDK8 1559/4885CYP46A1 2029/4885
US-20240360141-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, HRAS, NRAS CCNC 1245/4885CDK8 1559/4885CYP46A1 2029/4885

“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.