SCHEMBL11938374

SCHEMBL11938374

CC(C)(c1cc(-c2cnc(NC(=O)N3CCC[C@H]3C(N)=O)s2)ccn1)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 1.00
▸ PIK3CD O00329 8/20 1.00
▸ PIK3CB P42338 7/20 1.00
▸ PIK3CG P48736 7/20 1.00
▸ GAK O14976 1/20 0.75
▸ PRKACG P22612 1/20 0.75
▸ PIK3R1 P27986 1/20 0.75
▸ MTOR P42345 1/20 0.75
▸ PI4KB Q9UBF8 1/20 0.75
▸ HDAC6 Q9UBN7 5/20 0.49

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
SCHEMBL11938369 0.91 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGGAK
Alpelisib SCHEMBL16933192 0.86 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGGAK
Alpelisib SCHEMBL30227417 0.86 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGGAK
Alpelisib SCHEMBL30227461 0.86 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGGAK
Alpelisib SCHEMBL29358059 0.86 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGGAK
Alpelisib SCHEMBL24023385 0.86 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGGAK
Alpelisib SCHEMBL1911869 0.86 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL11938409 0.85 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL11938373 0.84 PIK3CA (0.72) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL11938410 0.84 PIK3CA (0.81) PIK3CAPIK3CDPIK3CBPIK3CGGAK

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 9 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-8710085-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2014-04-29 — — 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-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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