SCHEMBL30741939

SCHEMBL30741939

Cc1cc([C@@H](C)NC(=O)OC(C)(C)C)c2oc(-c3cc(F)cnc3F)c(C)c(=O)c2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 7/20 0.36
▸ FDPS P14324 2/20 0.34
▸ AKT1 P31749 1/20 0.33
▸ AKT2 P31751 1/20 0.33
▸ AKT3 Q9Y243 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ PIK3CB P42338 2/20 0.31
▸ GGPS1 O95749 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ NCOA2 Q15596 1/20 0.30
▸ NCOA1 Q15788 1/20 0.30
▸ NCOA3 Q9Y6Q9 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
SCHEMBL26881516 1.00 PIK3CA (0.36) PIK3CAFDPSAKT1AKT2AKT3
SCHEMBL27148751 0.89 PIK3CA (0.41) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL27008461 0.89 PIK3CA (0.41) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL30742321 0.88 PIK3CA (0.36) PIK3CAAKT1AKT2AKT3KMT2A
SCHEMBL26881434 0.88 PIK3CA (0.36) PIK3CAAKT1AKT2AKT3KMT2A
SCHEMBL26881836 0.86 PIK3CA (0.39) PIK3CAAKT1AKT2AKT3KMT2A
SCHEMBL30742010 0.86 PIK3CA (0.39) PIK3CAAKT1AKT2AKT3KMT2A
SCHEMBL30742422 0.85 PIK3CA (0.41) PIK3CAAKT1AKT2AKT3TSHR
SCHEMBL26881436 0.85 PIK3CA (0.41) PIK3CAAKT1AKT2AKT3TSHR
SCHEMBL30742224 0.84 PIK3CA (0.36) PIK3CAFDPSAKT1AKT2AKT3

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-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 — — 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-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 PIK3CA 1/4885FDPS 2054/4885AKT1 15/4885

“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.

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