SCHEMBL13976321

SCHEMBL13976321

O=C(c1cnc2ccc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)cn12)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.59
PIK3CB P42338 3/20 0.53
PIK3CD O00329 2/20 0.53
PIK3CG P48736 2/20 0.53
PIK3R1 P27986 1/20 0.53
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
PIK3C2B O00750 1/20 0.46
AURKA O14965 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
MTOR P42345 1/20 0.45
CDK19 Q9BWU1 1/20 0.45
EIF4E P06730 1/20 0.45

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
SCHEMBL13967626 0.95 PIK3CA (0.55) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL12928289 0.90 PIK3CA (0.73) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL12929016 0.88 PIK3CA (0.55) PIK3CAPIK3CBPIK3CDPIK3CGALDH1A1
SCHEMBL13967637 0.87 PIK3CA (0.61) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL13976849 0.86 PIK3CA (0.51) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL14684665 0.85 PIK3CA (0.55) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL12929017 0.84 PIK3CA (0.55) PIK3CAPIK3CBPIK3CDPIK3CGMKNK1
SCHEMBL13976990 0.84 PIK3CA (0.51) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL13977044 0.83 PIK3CD (0.54) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL18995667 0.82 PIK3CA (0.59) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1

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 13 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
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

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 1/4885PIK3CB 3/4885PIK3CD 2/4885
US-20150030588-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF PIK3C3, ERBB3, ERBB2 PIK3CA 7/4885PIK3CB 33/4885PIK3CD 58/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CB 3/4885PIK3CD 2/4885
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CB 3/4885PIK3CD 2/4885
US-20150087627-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, PIK3CA, AKT1 PIK3CA 2/4885PIK3CB 12/4885PIK3CD 13/4885
US-20150320727-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CB 3/4885PIK3CD 2/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CB 3/4885PIK3CD 2/4885
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF MTOR, RPTOR, RICTOR PIK3CA 4/4885PIK3CB 13/4885PIK3CD 14/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CB 3/4885PIK3CD 2/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 PIK3CA 6/4885PIK3CB 17/4885PIK3CD 24/4885

“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.