SCHEMBL25826247

SCHEMBL25826247

COC(=O)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
KMT2A Q03164 5/20 0.56
USP2 O75604 2/20 0.56
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
THRB P10828 1/20 0.52
MAPK1 P28482 1/20 0.52
MCL1 Q07820 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
MAPK14 Q16539 1/20 0.44
PDGFRA P16234 3/20 0.43
KDR P35968 2/20 0.43
ALK Q9UM73 1/20 0.43
HTT P42858 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAK O14976 3/20 0.40

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
SCHEMBL23999503 0.84 GAK (0.58) MAPK1CCNCCDK8MAPKAPK2PDGFRA
SCHEMBL25825376 0.82 KMT2A (0.68) MAPTKMT2AUSP2ALDH1A1KDM4E
SCHEMBL30180507 0.82 KMT2A (0.80) MAPTKMT2AUSP2ALDH1A1KDM4E
SCHEMBL19151510 0.82 KMT2A (0.80) MAPTKMT2AUSP2ALDH1A1KDM4E
SCHEMBL23999839 0.82 MAPK1 (0.46) MAPTKMT2AALDH1A1KDM4EMAPK1
SCHEMBL23999859 0.81 MAPK1 (0.47) MAPTALDH1A1MAPK1TDP1MAPKAPK2
SCHEMBL23999492 0.80 GAK (0.59) CCNCCDK8MAPKAPK2PDGFRAGAK
SCHEMBL17675214 0.80 PDGFRA (0.55) MAPTALDH1A1PDGFRAKDRHTT
SCHEMBL28783174 0.79 MAPT (0.70) MAPTKMT2AUSP2ALDH1A1KDM4E
SCHEMBL25826242 0.79 MAPT (0.54) MAPTKMT2AUSP2ALDH1A1KDM4E

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-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR MAPT 3999/4885KMT2A 3974/4885USP2 3935/4885

“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.