SCHEMBL13977044

SCHEMBL13977044

O=C(c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cn12)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.54
PIK3CA P42336 13/20 0.54
PIK3CG P48736 11/20 0.54
PIK3CB P42338 8/20 0.54
MTOR P42345 5/20 0.53

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
SCHEMBL13976851 0.92 PIK3CA (0.54) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL13977045 0.92 PIK3CA (0.64) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL13976849 0.91 PIK3CA (0.51) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL13976853 0.89 PIK3CA (0.63) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL13967598 0.88 PIK3CA (0.51) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL12929013 0.88 PIK3CA (0.63) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL12929015 0.85 PIK3CA (0.63) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL13976990 0.85 PIK3CA (0.51) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL12928289 0.84 PIK3CA (0.73) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL19867170 0.84 PIK3CD (0.61) PIK3CDPIK3CAPIK3CGPIK3CBMTOR

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 PIK3CD 2/4885PIK3CA 1/4885PIK3CG 4/4885
US-20150030588-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF PIK3C3, ERBB3, ERBB2 PIK3CD 58/4885PIK3CA 7/4885PIK3CG 104/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CA 1/4885PIK3CG 4/4885
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CA 1/4885PIK3CG 4/4885
US-20150087627-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, PIK3CA, AKT1 PIK3CD 13/4885PIK3CA 2/4885PIK3CG 21/4885
US-20150320727-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CA 1/4885PIK3CG 4/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CA 1/4885PIK3CG 4/4885
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF MTOR, RPTOR, RICTOR PIK3CD 14/4885PIK3CA 4/4885PIK3CG 23/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CA 1/4885PIK3CG 4/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 PIK3CD 24/4885PIK3CA 6/4885PIK3CG 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.