SCHEMBL25819937

SCHEMBL25819937

CC(C)Cc1cncc2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSP90AA1 P07900 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP19A1 P11511 1/20 0.34
TBXAS1 P24557 1/20 0.34
CYP17A1 P05093 2/20 0.34

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
SCHEMBL14024459 0.80 MAPT (0.45) MAPTKDM4ENPC1L3MBTL1HSP90AA1
SCHEMBL12749711 0.79 KDM4E (0.48) MAPTKDM4EHSP90AA1GABRA1GABRB2
SCHEMBL25819906 0.77 LATS1 (0.39) LOXL2
SCHEMBL28232680 0.77 MAPT (0.45) MAPTKDM4ENPC1L3MBTL1HSP90AA1
SCHEMBL19386407 0.76 MAPT (0.41) MAPTKDM4ENPC1L3MBTL1HSP90AA1
SCHEMBL12338360 0.75 MAPT (0.43) MAPTKDM4ENPC1L3MBTL1HSP90AA1
SCHEMBL21335021 0.75 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL14113388 0.75 CYP11B1 (0.44) GABRA1GABRB2PDE10ACYP3A4ELANE
SCHEMBL22104645 0.75 CCR1 (0.39) MAPTKDM4ENPC1L3MBTL1HSP90AA1
SCHEMBL23330364 0.73 MAPT (0.54) MAPTKDM4ENPC1L3MBTL1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
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 (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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR MAPT 3999/4885KDM4E 4095/4885NPC1 1175/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA MAPT 3976/4885KDM4E 4219/4885NPC1 901/4885

“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.