SCHEMBL26038568

SCHEMBL26038568

CC(=O)c1nc(O)c2scc(-c3ccccn3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
ALDH1A1 P00352 6/20 0.41
PDE10A Q9Y233 1/20 0.38
KRAS P01116 2/20 0.37
KDM4E B2RXH2 4/20 0.37
ADORA3 P0DMS8 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4A O75164 1/20 0.37
KDM4B O94953 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
CSNK2A1 P68400 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
IKBKB O14920 1/20 0.37

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
SCHEMBL29720521 0.88 CSNK2A1 (0.43) BRD4BRD2BRD3BAZ2BBAZ2A
SCHEMBL26042492 0.88 CSNK2A1 (0.43) BRD4BRD2BRD3BAZ2BBAZ2A
SCHEMBL24128068 0.87 IKBKB (0.41) BRD4BRD2BRD3BAZ2BBAZ2A
SCHEMBL24128144 0.84 ADORA3 (0.35) BRD4BRD2BRD3BAZ2BBAZ2A
SCHEMBL29720667 0.83 ADORA3 (0.42) ALDH1A1KDM4EADORA3SMN1; SMN2KDM4A
SCHEMBL24128110 0.83 ADORA3 (0.42) ALDH1A1KDM4EADORA3SMN1; SMN2KDM4A
SCHEMBL29720656 0.83 ADORA3 (0.42) ALDH1A1KDM4EADORA3SMN1; SMN2KDM4A
SCHEMBL29720631 0.83 LMNA (0.48) ALDH1A1KRASKDM4ESMN1; SMN2MAPT
SCHEMBL26042486 0.83 LMNA (0.48) ALDH1A1KRASKDM4ESMN1; SMN2MAPT
SCHEMBL24128111 0.82 ADORA3 (0.47) ALDH1A1KDM4EADORA3SMN1; SMN2KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 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-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, G3BP1, NRAS BRD4 885/4885BRD2 1679/4885BRD3 1425/4885

“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.