SCHEMBL17330747

SCHEMBL17330747

C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Cl)ccc(Cl)c2c(=O)n1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.43
▸ PIK3R2 O00459 8/20 0.38
▸ PIK3CD O00329 6/20 0.38
▸ MDM2 Q00987 1/20 0.35
▸ MDM4 O15151 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ DTYMK P23919 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
SCHEMBL17330746 1.00 BACE1 (0.43) BACE1PIK3R2PIK3CDMDM2MDM4
SCHEMBL17331016 0.94 PIK3CD (0.44) BACE1PIK3R2PIK3CD
SCHEMBL17331014 0.94 PIK3CD (0.44) BACE1PIK3R2PIK3CD
SCHEMBL17330660 0.91 PIK3R2 (0.46) BACE1PIK3R2PIK3CD
SCHEMBL17330659 0.91 PIK3R2 (0.46) BACE1PIK3R2PIK3CD
SCHEMBL17331005 0.89 BACE1 (0.43) BACE1PIK3R2PIK3CDMDM2MDM4
SCHEMBL17331004 0.89 BACE1 (0.43) BACE1PIK3R2PIK3CDMDM2MDM4
SCHEMBL17330723 0.88 PIK3R2 (0.44) BACE1PIK3R2PIK3CD
SCHEMBL17330725 0.88 PIK3R2 (0.44) BACE1PIK3R2PIK3CD
SCHEMBL17330874 0.88 BACE1 (0.42) BACE1PIK3R2PIK3CDMDM2MDM4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154958-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-10-07 — — EP disclosed
US-10092563-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-09 — — US disclosed
US-20150361054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 — — 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-20150361054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PIK3CB BACE1 1106/4885PIK3R2 22/4885PIK3CD 5/4885
US-10092563-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, PIK3CB BACE1 1106/4885PIK3R2 22/4885PIK3CD 5/4885

“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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