SCHEMBL25820663

SCHEMBL25820663

O=C(Nc1cccc(Nc2ccccc2)c1)c1cccc(Nc2ccnc3ccc(F)cc23)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 0.53
CCNC P24863 1/20 0.53
DNMT1 P26358 7/20 0.51
DNMT3A Q9Y6K1 5/20 0.48
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
DNMT3L Q9UJW3 3/20 0.43
EGFR P00533 2/20 0.43
CLK2 P49760 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
ACVR1 Q04771 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
KMT2A Q03164 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL30290913 0.94 USP2 (0.49) CDK8CCNCDNMT1DNMT3AAURKA
SCHEMBL24010928 0.94 USP2 (0.49) CDK8CCNCDNMT1DNMT3AAURKA
SCHEMBL25820643 0.90 DNMT1 (0.54) CDK8CCNCDNMT1DNMT3AAURKA
SCHEMBL24006238 0.88 DNMT1 (0.53) CDK8CCNCDNMT1DNMT3AAURKA
SCHEMBL25820621 0.88 DNMT1 (0.47) CDK8CCNCDNMT1DNMT3AAURKA
SCHEMBL25820661 0.86 DNMT1 (0.53) CDK8CCNCDNMT1DNMT3AAURKA
SCHEMBL24010231 0.85 DNMT1 (0.50) CDK8CCNCDNMT1DNMT3ADNMT3L
SCHEMBL30290776 0.85 DNMT1 (0.50) CDK8CCNCDNMT1DNMT3ADNMT3L
SCHEMBL24003883 0.85 DNMT1 (0.62) CDK8CCNCDNMT1DNMT3AAURKA
SCHEMBL30290755 0.85 DNMT1 (0.68) CDK8CCNCDNMT1DNMT3AAURKA

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 CDK8 385/4885CCNC 491/4885DNMT1 4335/4885

“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.