SCHEMBL24023330

SCHEMBL24023330

CCOC(=O)C1(c2cc(-c3sc(N=C(c4ccccc4)c4ccccc4)nc3C)ccn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.36
▸ OPRD1 P41143 4/20 0.36
▸ OPRK1 P41145 4/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PIK3CA P42336 2/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ DBF4 Q9UBU7 1/20 0.34
▸ MAPK14 Q16539 3/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34

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
SCHEMBL24023236 0.80 MEN1 (0.41) PIK3CACDC7DBF4PIK3CDPIK3CB
SCHEMBL24023419 0.80 CDC7 (0.40) KDM4ECDC7DBF4
SCHEMBL24023377 0.79 CDC7 (0.36) KDM4ENPSR1CDC7DBF4MAPK14
SCHEMBL24023424 0.78 PIK3CA (0.38) NPSR1PIK3CACDC7DBF4MAPK14
SCHEMBL24023370 0.77 PIK3CA (0.37) PIK3CACDC7DBF4MAPK14PIK3CD
SCHEMBL24023248 0.76 MAPK14 (0.37) OPRK1KDM4ENPSR1MAPK14
SCHEMBL24023335 0.72 PIK3CA (0.41) OPRK1KDM4ENPSR1PIK3CAMAPK14
SCHEMBL24023235 0.71 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4981429 0.70 MEN1 (0.43) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL24023393 0.69 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CG

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-20210353607-A1 PI3K INHIBITORS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2021-11-18 — — 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-20210353607-A1 PI3K INHIBITORS AND USES THEREOF PIK3CA, AKT3, GSK3B OPRM1 1666/4885OPRD1 2202/4885OPRK1 1742/4885

“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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