Sugi Predict

Sugi Predict / Compounds / SCHEMBL3235686

SCHEMBL3235686

SCHEMBL3235686

Cc1cc(-c2sc(C(N)=O)nc2C)nc(C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 8/20 0.36
▸ PIK3CG P48736 6/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ AURKA O14965 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ RET P07949 1/20 0.34
▸ LTK P29376 1/20 0.34
▸ CSNK1A1 P48729 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ IKBKB O14920 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ PRKACB P22694 1/20 0.33
▸ LIMK1 P53667 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
SCHEMBL16762558 0.83 IKBKB (0.35) PIK3CGIKBKBCHUKPRKACAPRKACG
SCHEMBL3162020 0.80 PIK3CA (0.53) PIK3CAPIK3CGPIK3CDPIK3CBAURKA
SCHEMBL1937947 0.79 PIK3CG (0.50) PIK3CGPOLBALDH1A1GAA
SCHEMBL3160215 0.78 KMT2A (0.46) PIK3CAIKBKBCHUKPRKACAPRKACG
SCHEMBL3161123 0.76 IKBKB (0.32) IKBKBCHUKPRKACAPRKACGPRKACB
SCHEMBL1937811 0.76 PIK3CG (0.57) PIK3CAPIK3CGPIK3CDPIK3CBPOLB
SCHEMBL3164908 0.75 IKBKB (0.38) PIK3CAPIK3CGPIK3CDPIK3CBIKBKB
SCHEMBL13358975 0.73 PIK3CA (0.45) PIK3CAPIK3CGPIK3CDPIK3CBAURKA
SCHEMBL3232125 0.71 PIK3CA (0.43) PIK3CAPIK3CGPIK3CDPIK3CBAURKA
SCHEMBL3665106 0.71 PIK3CA (0.43) PIK3CAPIK3CGPIK3CDPIK3CBAURKA

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 5/4885PIK3CG 20/4885PIK3CD 3/4885
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD PIK3CA 5/4885PIK3CG 20/4885PIK3CD 3/4885
US-20140005232-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PDPK1, MTOR, PIK3C2A PIK3CA 12/4885PIK3CG 20/4885PIK3CD 4/4885
US-20100105711-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CG 8/4885PIK3CD 3/4885

“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.