SCHEMBL1938764

SCHEMBL1938764

Cc1nc(N)sc1-c1ccnc(C2(C(N)=O)CCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 13/20 0.48
▸ PIK3CD O00329 5/20 0.43
▸ PIK3CB P42338 5/20 0.43
▸ PIK3CG P48736 4/20 0.43
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PI4KB Q9UBF8 2/20 0.37
▸ GAK O14976 1/20 0.37
▸ PRKACG P22612 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL24023236 0.82 MEN1 (0.41) PIK3CAPIK3CDPIK3CBPIK3CGMEN1
SCHEMBL30476481 0.80 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGMEN1
SCHEMBL1059811 0.80 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGMEN1
SCHEMBL1938594 0.78 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3CGMEN1
SCHEMBL29011693 0.76 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMEN1
SCHEMBL1938188 0.76 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMEN1
SCHEMBL11938381 0.76 PIK3CA (0.77) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL2703529 0.73 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL24023249 0.72 KDM4E (0.49) PIK3CAPIK3CDPIK3CBPIK3CGMEN1
SCHEMBL29011688 0.70 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-07-03 — — US disclosed
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-07-03 — — US disclosed
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-07-03 — — US disclosed
US-8710085-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2014-04-29 — — US disclosed
US-8710085-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2014-04-29 — — US disclosed
US-20140005232-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 — — US disclosed
US-8476268-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2013-07-02 — — US disclosed
US-8476268-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2013-07-02 — — US disclosed
US-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-10-18 — — US disclosed
US-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-10-18 — — US disclosed
US-8227462-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2012-07-24 — — US disclosed
US-8227462-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2012-07-24 — — US disclosed
US-8227462-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2012-07-24 — — US disclosed
EP-2331537-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2011-06-15 — — EP disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 — — US disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 — — US disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 — — US disclosed
WO-2010029082-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 — — WO disclosed
WO-2010029082-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 — — 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 (4 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-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD PIK3CA 5/4885PIK3CD 3/4885PIK3CB 14/4885
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD PIK3CA 5/4885PIK3CD 3/4885PIK3CB 14/4885
US-20140005232-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PDPK1, MTOR, PIK3C2A PIK3CA 12/4885PIK3CD 4/4885PIK3CB 11/4885
US-20100105711-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CD 3/4885PIK3CB 6/4885

“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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