SCHEMBL25820170

SCHEMBL25820170

Cc1cc(CC(C)C)c2cc(N3CCCC3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.44
TERT O14746 3/20 0.41
IP6K1 Q92551 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
NR4A1 P22736 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAP4K4 O95819 1/20 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
SCHEMBL25820102 0.97 NCF1 (0.41) NCF1TERTIP6K1KDM4EMEN1
SCHEMBL25821152 0.90 NCF1 (0.47) NCF1KDM4EMEN1ALDH1A1GAA
SCHEMBL25820175 0.89 KMT2A (0.49) NCF1KDM4EMEN1ALDH1A1GAA
SCHEMBL24003941 0.84 NCF1 (0.49) NCF1TERTIP6K1MAP4K4
SCHEMBL25820144 0.82 NPSR1 (0.48) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL25820157 0.81 TSHR (0.35)
SCHEMBL25821159 0.81 DPP4 (0.34) NCF1ALDH1A1ALOX15MAPK1
SCHEMBL25821148 0.81 MAPT (0.34) NCF1KDM4EMEN1ALDH1A1MAPT
SCHEMBL25820145 0.81 SYK (0.38) NCF1KDM4EMEN1ALDH1A1MAPT
SCHEMBL25820104 0.80 IP6K1 (0.48) TERTIP6K1KDM4EMEN1ALDH1A1

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 NCF1 1223/4885TERT 4091/4885IP6K1 186/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA NCF1 1002/4885TERT 3883/4885IP6K1 64/4885

“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.