SCHEMBL24908473

SCHEMBL24908473

COc1ncc(-n2cc(C(C)C)cn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.37
GRIN1 Q05586 14/20 0.37
GRIN2B Q13224 14/20 0.37
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
IDH1 O75874 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL24908472 0.81 OGA (0.43)
SCHEMBL2609437 0.78 MAPKAPK2 (0.48) ALDH1A1SMN1; SMN2IDH1
SCHEMBL24921475 0.77 TDO2 (0.37) RXRAGRIN1GRIN2BALDH1A1
SCHEMBL2611025 0.75 ALDH1A1 (0.40) RXRAGRIN1GRIN2BALDH1A1SMN1; SMN2
SCHEMBL14328380 0.74 NOTUM (0.48) RXRAGRIN1GRIN2BIDH1
SCHEMBL14207203 0.74 HSP90AA1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL22902068 0.74 NOTUM (0.50) ALDH1A1EGLN1
SCHEMBL20575433 0.73 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL12351974 0.73 GAA (0.53) SMN1; SMN2IDH1
SCHEMBL26051361 0.71 MAPT (0.42) RXRAGRIN1GRIN2BALDH1A1SMN1; SMN2

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-20230014445-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2023-01-19 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-20230014445-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 RXRA 1049/4885GRIN1 2596/4885GRIN2B 3276/4885

“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.