Sugi Predict

Sugi Predict / Compounds / SCHEMBL1886404

SCHEMBL1886404

SCHEMBL1886404

CCc1cnc(CCNC(=O)Nc2nc(C)c(-c3cc(C)nc(NCC4CCCN4)n3)s2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 8/20 0.35
▸ SYK P43405 3/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ MAPK3 P27361 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ BCDIN3D Q7Z5W3 1/20 0.32
▸ CDK2 P24941 4/20 0.32
▸ CCNE2 O96020 3/20 0.32
▸ CCNE1 P24864 3/20 0.32
▸ CCNB2 O95067 2/20 0.32
▸ CDK1 P06493 2/20 0.32
▸ CDK4 P11802 2/20 0.32
▸ CCNB1 P14635 2/20 0.32
▸ CCND1 P24385 2/20 0.32
▸ CCNB3 Q8WWL7 2/20 0.32
▸ PIK3CA P42336 4/20 0.32
▸ CHEK1 O14757 1/20 0.31
▸ FPR3 P25089 1/20 0.31
▸ FPR2 P25090 1/20 0.31

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
SCHEMBL1887834 0.83 PIK3CG (0.35) PIK3CGCDK2CCNE2CCNE1CCNB2
SCHEMBL1888621 0.82 PIK3CG (0.34) PIK3CGCDK2CCNE2CCNE1CCNB2
SCHEMBL1890711 0.82 PIK3CG (0.40) PIK3CGCDK2CCNE2CCNE1CCNB2
SCHEMBL1887678 0.81 L3MBTL1 (0.35) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1886261 0.81 PIK3CG (0.48) PIK3CGMAPK1AURKBCDK2CDK4
SCHEMBL1892220 0.81 FGFR1 (0.38) PIK3CG
SCHEMBL27656640 0.81 PIK3CG (0.36) PIK3CGCDK2CCNE2CCNE1CCNB2
SCHEMBL1889373 0.79 PIK3CG (0.39) PIK3CGCDK2CCNE2CCNE1CCNB2
SCHEMBL1880462 0.79 PIK3CG (0.38) PIK3CGCDK2CCNE2CCNE1CCNB2
SCHEMBL1888493 0.79 PIK3CG (0.38) PIK3CGCDK2CCNE2CCNE1CCNB2

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
EP-2157091-B1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2015-06-10 — — EP disclosed
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 — — US disclosed
US-8404684-B2 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2013-03-26 — — US disclosed
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG 2011-05-05 — — US disclosed
EP-1622897-B1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2009-10-14 — — EP disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 — — US disclosed
EP-1622897-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Novartis AG (CH) 2006-02-08 — — EP disclosed
WO-2004096797-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2004-11-11 — — 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-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase PIK3CA, PIP4K2C, PIP4K2B PIK3CG 10/4885SYK 443/4885KCNH2 1414/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885SYK 446/4885KCNH2 1480/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885SYK 446/4885KCNH2 1480/4885

“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.