Sugi Predict

Sugi Predict / Compounds / SCHEMBL12929016

SCHEMBL12929016

SCHEMBL12929016

CS(=O)(=O)Nc1cccc(-c2ccc3ncc(C(=O)N4CCOCC4)n3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.55
▸ PIK3CD O00329 3/20 0.55
▸ PIK3CG P48736 3/20 0.55
▸ PIK3CB P42338 1/20 0.55
▸ USP2 O75604 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CLK4 Q9HAZ1 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.46
▸ MKNK1 Q9BUB5 11/20 0.46
▸ MKNK2 Q9HBH9 11/20 0.46
▸ EIF4E P06730 3/20 0.45
▸ BRD4 O60885 1/20 0.44

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
SCHEMBL13976321 0.88 PIK3CA (0.59) PIK3CAPIK3CDPIK3CGPIK3CBALDH1A1
SCHEMBL13967626 0.84 PIK3CA (0.55) PIK3CAPIK3CDPIK3CGPIK3CBALDH1A1
SCHEMBL13976997 0.84 PIK3CA (0.54) PIK3CAPIK3CDPIK3CGPIK3CBMKNK1
SCHEMBL14684665 0.84 PIK3CA (0.55) PIK3CAPIK3CDPIK3CGPIK3CBUSP2
SCHEMBL12929017 0.83 PIK3CA (0.55) PIK3CAPIK3CDPIK3CGPIK3CBMKNK1
SCHEMBL13977094 0.83 PIK3CA (0.55) PIK3CAPIK3CDPIK3CGPIK3CBMKNK1
SCHEMBL13967598 0.81 PIK3CA (0.51) PIK3CAPIK3CDPIK3CGPIK3CBMKNK1
SCHEMBL13967585 0.81 PIK3CA (0.70) PIK3CAPIK3CDPIK3CGPIK3CBMKNK1
SCHEMBL12929010 0.80 PIK3CD (0.60) PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL13967631 0.79 ALPL (0.52) PIK3CAPIK3CDPIK3CGPIK3CBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 — — US disclosed
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2019-11-21 — — US disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 — — US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 — — US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 — — US disclosed
US-9295673-B2 Combination of mTOR inhibitors and P13-kinase inhibitors, and uses thereof INTELLIKINE LLC (US) 2016-03-29 — — US disclosed
US-20150320727-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC 2015-11-12 — — US disclosed
US-9085560-B2 Heterocyclic compounds and uses thereof INTELLIKINE, INC. (US) 2015-07-21 — — US disclosed
US-20150087627-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2015-03-26 — — US disclosed
US-20150030588-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC 2015-01-29 — — US disclosed
WO-2014151147-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE, LLC (US) 2014-09-25 — — WO disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 — — US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 — — US disclosed
WO-2011022439-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2011-02-24 — — WO 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 (10 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885PIK3CG 4/4885
US-20150030588-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF PIK3C3, ERBB3, ERBB2 PIK3CA 7/4885PIK3CD 58/4885PIK3CG 104/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885PIK3CG 4/4885
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885PIK3CG 4/4885
US-20150087627-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, PIK3CA, AKT1 PIK3CA 2/4885PIK3CD 13/4885PIK3CG 21/4885
US-20150320727-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885PIK3CG 4/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885PIK3CG 4/4885
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF MTOR, RPTOR, RICTOR PIK3CA 4/4885PIK3CD 14/4885PIK3CG 23/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885PIK3CG 4/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 PIK3CA 6/4885PIK3CD 24/4885PIK3CG 50/4885

“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.