SCHEMBL1887833

SCHEMBL1887833

COc1ccc(CNc2nc(C)c(C(C)=O)s2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.78
NPC1 O15118 6/20 0.78
GSK3A P49840 1/20 0.74
GSK3B P49841 1/20 0.74
ALDH1A1 P00352 8/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
KDM4E B2RXH2 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPT P10636 4/20 0.59
NPSR1 Q6W5P4 3/20 0.55
LMNA P02545 2/20 0.55
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
CASP1 P29466 1/20 0.55
STAT1 P42224 1/20 0.55
CCR6 P51684 1/20 0.55

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
SCHEMBL29071442 0.82 RAB9A (0.74) RAB9ANPC1GSK3AGSK3BALDH1A1
SCHEMBL1889989 0.81 RAB9A (0.53) RAB9ANPC1GSK3AGSK3BALDH1A1
SCHEMBL29071206 0.79 NPC1 (0.70) RAB9ANPC1GSK3AGSK3BALDH1A1
SCHEMBL5737503 0.79 NPC1 (0.50) RAB9ANPC1GSK3AGSK3BALDH1A1
SCHEMBL28476359 0.77 NPC1 (0.78) RAB9ANPC1GSK3AGSK3BALDH1A1
SCHEMBL5738289 0.77 NPC1 (0.49) RAB9ANPC1GSK3AGSK3BALDH1A1
SCHEMBL14788563 0.77 NPC1 (0.50) RAB9ANPC1GSK3AGSK3B
SCHEMBL1889985 0.76 NPC1 (0.46) RAB9ANPC1GSK3AGSK3BALDH1A1
SCHEMBL4919866 0.75 NPC1 (0.75) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL4920880 0.75 NPC1 (0.64) RAB9ANPC1GSK3AGSK3BALDH1A1

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
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-2157091-A1 Inhibitors of phosphatidylinositol 3-kinase Novartis AG (CH) 2010-02-24 EP 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 RAB9A 916/4885NPC1 1629/4885GSK3A 334/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C RAB9A 906/4885NPC1 1578/4885GSK3A 310/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C RAB9A 906/4885NPC1 1578/4885GSK3A 310/4885

“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.