SCHEMBL25820094

SCHEMBL25820094

CC(C)Cc1ccnc2ccc(CO)cc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.42
CYP19A1 P11511 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
RECQL P46063 1/20 0.38
PLAU P00749 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
MAOA P21397 1/20 0.37
DYRK1A Q13627 1/20 0.37
ROCK2 O75116 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PDE5A O76074 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
CBFB Q13951 1/20 0.34
OGA O60502 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL10045001 0.84 SLC22A12 (0.48) SLC22A12CYP19A1RECQLPLAUMAOA
SCHEMBL25820095 0.80 HTR1A (0.51) SLC22A12CYP19A1TRPV1ROCK2IRAK4
SCHEMBL25820130 0.78 KDM4E (0.43) SLC22A12TRPV1ROCK2MTNR1AMTNR1B
SCHEMBL25820075 0.78 CCNC (0.42) TRPV1ROCK2
SCHEMBL26030647 0.78 SLC22A12 (0.44) SLC22A12CYP19A1GABRA1RECQLPLAU
SCHEMBL26664503 0.78 GABRA1 (0.47) GABRA1GABRB2LOXL2
SCHEMBL25820141 0.77 TRPV1 (0.43) CYP19A1TRPV1ROCK2MTNR1AMTNR1B
SCHEMBL25820138 0.77 TRPV1 (0.45) TRPV1MTNR1AMTNR1B
SCHEMBL25820139 0.77 SLC2A1 (0.47) TRPV1MTNR1AMTNR1B
SCHEMBL25820108 0.76 IP6K1 (0.43) TRPV1ROCK2LOXL2

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 SLC22A12 3664/4885CYP19A1 731/4885GABRA1 3307/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA SLC22A12 3810/4885CYP19A1 602/4885GABRA1 3364/4885

“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.