SCHEMBL25820769

SCHEMBL25820769

O=C(c1cccc(Nc2ccnc3ccc(F)cc23)c1)N1CCc2c(Nc3ccccc3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 2/20 0.46
DNMT3A Q9Y6K1 2/20 0.46
CDK8 P49336 2/20 0.45
CCNC P24863 1/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.41
TGFBR1 P36897 1/20 0.40
EGFR P00533 3/20 0.39
CLK2 P49760 1/20 0.39
ACVR1 Q04771 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
GAK O14976 2/20 0.39
MAPKAPK2 P49137 4/20 0.39
MTOR P42345 1/20 0.39
EHMT1 Q9H9B1 1/20 0.38
DNMT3L Q9UJW3 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL30290923 0.95 DNMT1 (0.43) DNMT1DNMT3ACDK8CCNCGAA
SCHEMBL24009942 0.95 DNMT1 (0.43) DNMT1DNMT3ACDK8CCNCGAA
SCHEMBL25820779 0.90 DNMT1 (0.42) DNMT1DNMT3ACDK8CCNCGAA
SCHEMBL25488283 0.86 GAK (0.40) DNMT1DNMT3ACDK8CCNCGAA
SCHEMBL30290895 0.83 DNMT1 (0.44) DNMT1DNMT3ACDK8CCNCGAA
SCHEMBL24010132 0.83 DNMT1 (0.44) DNMT1DNMT3ACDK8CCNCGAA
SCHEMBL24006287 0.79 DNMT1 (0.55) DNMT1DNMT3ACDK8CCNCTGFBR1
SCHEMBL25820778 0.77 ALDH1A1 (0.50) GAAHTTALDH1A1
SCHEMBL25820678 0.77 DNMT1 (0.62) DNMT1DNMT3ACDK8CCNCTGFBR1
SCHEMBL24011122 0.77 DNMT1 (0.68) DNMT1DNMT3ACDK8CCNCTGFBR1

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA DNMT1 4335/4885DNMT3A 4603/4885CDK8 385/4885

“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.