SCHEMBL30742619

SCHEMBL30742619

Cc1cc([C@@H](C)Nc2ccc(Cl)nc2C)c2oc(-c3cccnc3)cc(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.55
▸ PIK3CB P42338 5/20 0.55
▸ PIK3CD O00329 2/20 0.55
▸ PIK3CG P48736 2/20 0.55
▸ PRKDC P78527 3/20 0.46
▸ CYP1A1 P04798 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP1B1 Q16678 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MTOR P42345 1/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.38

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
SCHEMBL26887561 1.00 PIK3CA (0.55) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL27146895 1.00 PIK3CA (0.55) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL30584279 0.86 PIK3CA (0.57) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL26662607 0.86 PIK3CA (0.57) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL26662600 0.86 PIK3CA (0.57) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL26867291 0.85 PIK3CA (0.50) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL30742596 0.85 PIK3CA (0.50) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL26861858 0.85 PIK3CA (0.50) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL30742467 0.84 PIK3CA (0.45) PIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL27127654 0.84 PIK3CA (0.45) PIK3CAPIK3CBPIK3CDPIK3CG

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 1/4885PIK3CB 16/4885PIK3CD 6/4885

“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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