SCHEMBL17330731

SCHEMBL17330731

C[C@H](N)c1nc2cccc(Cl)c2c(=O)n1[C@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.46
▸ PIK3CD O00329 16/20 0.44
▸ PIK3R2 O00459 12/20 0.43
▸ OPRM1 P35372 3/20 0.43
▸ OGFRL1 Q5TC84 3/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ PIK3CG P48736 2/20 0.41

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
SCHEMBL17330518 1.00 BTK (0.46) BTKPIK3CDPIK3R2OPRM1OGFRL1
SCHEMBL17330517 1.00 BTK (0.46) BTKPIK3CDPIK3R2OPRM1OGFRL1
SCHEMBL17330565 0.95 PIK3CD (0.44) PIK3CDPIK3R2OPRM1OGFRL1OPRD1
SCHEMBL17330563 0.95 PIK3CD (0.44) PIK3CDPIK3R2OPRM1OGFRL1OPRD1
SCHEMBL17330951 0.95 PIK3CD (0.44) PIK3CDPIK3R2OPRM1OGFRL1OPRD1
SCHEMBL17330820 0.93 OPRM1 (0.48) PIK3CDPIK3R2OPRM1OGFRL1OPRD1
SCHEMBL17330842 0.91 PIK3CD (0.45) PIK3CDPIK3R2OPRM1OGFRL1OPRD1
SCHEMBL17330844 0.91 PIK3CD (0.45) PIK3CDPIK3R2OPRM1OGFRL1OPRD1
SCHEMBL17330717 0.90 PIK3CD (0.47) PIK3CDPIK3R2OPRM1OGFRL1OPRD1
SCHEMBL17330623 0.90 PIK3CD (0.47) PIK3CDPIK3R2OPRM1OGFRL1OPRD1

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 BTK 210/4885PIK3CD 5/4885PIK3R2 22/4885
US-10092563-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, PIK3CB BTK 210/4885PIK3CD 5/4885PIK3R2 22/4885

“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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