Sugi Predict

Sugi Predict / Compounds / SCHEMBL3240860

SCHEMBL3240860

SCHEMBL3240860

Cc1nc(C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 12/20 0.45
▸ PIK3CD O00329 5/20 0.43
▸ PIK3CB P42338 5/20 0.43
▸ PIK3CG P48736 4/20 0.43
▸ CDK2 P24941 6/20 0.39
▸ CDK4 P11802 4/20 0.39
▸ CCNE1 P24864 2/20 0.39
▸ FAAH O00519 1/20 0.37
▸ GAK O14976 1/20 0.35
▸ PRKACG P22612 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ GPR52 Q9Y2T5 1/20 0.35
▸ PLK1 P53350 2/20 0.34
▸ CDC7 O00311 1/20 0.33
▸ DBF4 Q9UBU7 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK7 P50613 1/20 0.33

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
SCHEMBL13358975 0.90 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGCDK2
SCHEMBL3232125 0.89 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGCDK2
SCHEMBL3162020 0.88 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGCDK2
SCHEMBL3232956 0.85 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGCDK2
SCHEMBL3668513 0.83 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGCDK2
SCHEMBL3665106 0.83 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGCDK2
SCHEMBL1939823 0.81 CDK2 (0.48) PIK3CAPIK3CDPIK3CBPIK3CGCDK2
SCHEMBL3661249 0.79 KDM4E (0.49) PIK3CAPIK3CDPIK3CBPIK3CGCDK2
SCHEMBL3661132 0.79 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPIK3CGCDK2
SCHEMBL15550748 0.78 PIK3CA (0.56) 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 8 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-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-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-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 (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.