SCHEMBL25820101

SCHEMBL25820101

Cc1cc(CC(C)C)c2cc(N(C)C)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
ADK P55263 1/20 0.41
ELANE P08246 1/20 0.39
PSMB5 P28074 3/20 0.39
APP P05067 2/20 0.39
TERT O14746 1/20 0.39
APAF1 O14727 1/20 0.37
CRHR1 P34998 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IP6K1 Q92551 1/20 0.36
EGFR P00533 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
IDO2 Q6ZQW0 1/20 0.35

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
SCHEMBL25820060 0.79 GAA (0.45) ALDH1A1GAAHSD17B10
SCHEMBL13200125 0.78 CYP1A2 (0.56) ELANEALDH1A1MAPTTDP1
SCHEMBL25820108 0.78 IP6K1 (0.43) PDE3BPDE3AADKELANEPSMB5
SCHEMBL25826712 0.73 PDE3B (0.44) PDE3BPDE3AELANEPSMB5APP
SCHEMBL25825505 0.73 SMN1; SMN2 (0.35) PDE3BPDE3ATERTPDE10ALMNA
SCHEMBL25820170 0.72 NCF1 (0.44) TERTALDH1A1MAPK1GAAMAPT
SCHEMBL25820102 0.72 NCF1 (0.41) TERTALDH1A1MAPK1GAAMAPT
SCHEMBL23999412 0.71 TERT (0.55) PDE3BPDE3AELANEPSMB5APP
SCHEMBL24003870 0.71 DOT1L (0.50) PDE3BPDE3AAPPTERTALDH1A1
SCHEMBL24004019 0.70 CASR (0.36) ELANEPSMB5CRHR1

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 PDE3B 479/4885PDE3A 350/4885ADK 1235/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA PDE3B 570/4885PDE3A 451/4885ADK 1021/4885

“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.