SCHEMBL25820066

SCHEMBL25820066

CC(C)Cc1cncc2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.39
HTR2A P28223 5/20 0.37
HTR2C P28335 5/20 0.37
CYP19A1 P11511 1/20 0.36
PTGER1 P34995 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL14113388 0.76 CYP11B1 (0.44) PDE10A
SCHEMBL25819925 0.75 KDM4E (0.38) HTR2AHTR2C
SCHEMBL25819938 0.73 HTR2A (0.38) HTR2AHTR2C
SCHEMBL25820060 0.70 GAA (0.45) HTR2AHTR2C
SCHEMBL21503461 0.70 GABRA1 (0.50) HTR2AHTR2C
SCHEMBL27317358 0.69 CYP11B1 (0.37) HTR2AHTR2CCTDSP1TDP1ACHE
SCHEMBL21845759 0.69 PDE10A (0.38) PDE10AACHE
SCHEMBL17981146 0.68 TDP1 (0.37) CYP19A1CTDSP1TDP1ACHE
SCHEMBL30188824 0.68 TDP1 (0.37) CYP19A1CTDSP1TDP1ACHE
SCHEMBL30702097 0.68 BACE1 (0.41) CTDSP1TDP1ACHE

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 PDE10A 529/4885HTR2A 2819/4885HTR2C 2539/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA PDE10A 611/4885HTR2A 2539/4885HTR2C 2111/4885

“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.