SCHEMBL26110779

SCHEMBL26110779

COC(=O)c1[nH]cc(-c2cccnc2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 3/20 0.53
NR4A2 P43354 1/20 0.51
SLC2A1 P11166 1/20 0.50
CCNC P24863 2/20 0.49
CDK8 P49336 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.46
CFTR P13569 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL30590619 1.00 NEK1 (0.53) NEK1NR4A2SLC2A1CCNCCDK8
SCHEMBL26110917 0.88 CCNC (0.46) NEK1NR4A2SLC2A1CCNCCDK8
SCHEMBL31189439 0.86 MMP2 (0.50) NEK1CCNCCDK8ALDH1A1MAPK1
SCHEMBL31189709 0.84 CCNC (0.68) NEK1CCNCCDK8HTTDYRK1A
SCHEMBL30590650 0.75 MMP2 (0.49) NEK1ALDH1A1MAPK1GSK3BDYRK1A
SCHEMBL15830641 0.74 KMT2A (0.53) NEK1NR4A2SLC2A1ALDH1A1CYP19A1
SCHEMBL19509026 0.73 NR4A2 (0.58) NEK1NR4A2SLC2A1CCNCCDK8
SCHEMBL30590644 0.73 ALDH1A1 (0.49) ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL26113876 0.72 CCNC (0.63) NEK1CCNCCDK8ALDH1A1HTT
SCHEMBL29644805 0.72 KMT2A (0.61) NR4A2SLC2A1ALDH1A1CYP19A1CYP11B1

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 4 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
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
WO-2023196975-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2023-10-12 WO disclosed
WO-2023196975-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2023-10-12 WO 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 NEK1 2750/4885NR4A2 1412/4885SLC2A1 4258/4885
US-20240360141-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, HRAS, NRAS NEK1 2750/4885NR4A2 1412/4885SLC2A1 4258/4885

“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.