SCHEMBL25828236

SCHEMBL25828236

COc1c(C)cnc2ccc(N(C)C)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.51
IP6K1 Q92551 1/20 0.44
EGFR P00533 3/20 0.41
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
APAF1 O14727 1/20 0.39
DOT1L Q8TEK3 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL26317020 0.73 POLB (0.57) ALDH1A1LMNACYP1A2CYP3A4MAPK1
SCHEMBL24010781 0.72 DOT1L (0.63) APPIP6K1EGFRPDGFRBPDGFRA
SCHEMBL25820098 0.72 IP6K1 (0.41) APPIP6K1EGFRPDE3BPDE3A
SCHEMBL12240676 0.71 IP6K1 (0.50) APPIP6K1EGFRPDE3BPDE3A
SCHEMBL24003870 0.67 DOT1L (0.50) APPPDGFRBPDGFRAPDE3BPDE3A
SCHEMBL182841 0.66 LMNA (0.49) APPEGFRDOT1LMEN1ALDH1A1
SCHEMBL11625141 0.64 IP6K1 (0.49) APPIP6K1EGFRPDE3BPDE3A
SCHEMBL20733069 0.64 CYP1A2 (0.51) APPPDGFRBPDGFRAMEN1ALDH1A1
SCHEMBL6386612 0.64 IP6K1 (0.42) IP6K1EGFRPDE3BPDE3AMEN1
SCHEMBL24003975 0.64 DOT1L (0.50) APPIP6K1EGFRPDE3BPDE3A

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 APP 3796/4885IP6K1 186/4885EGFR 1128/4885

“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.