SCHEMBL1886940

SCHEMBL1886940

Cc1nc(Nc2cc[nH]n2)sc1-c1ccnc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TRPV4 Q9HBA0 3/20 0.38
NR2F2 P24468 1/20 0.38
MAPK14 Q16539 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1891863 0.80 KDR (0.41) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1888436 0.79 ADORA3 (0.37) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1889933 0.78 CDK2 (0.43) CDK2CDK4AURKACDK1CDK9
SCHEMBL1887632 0.74 MAPT (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2396657 0.73 MEN1 (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2396778 0.73 PIK3CD (0.68) MAPTHPGDPIK3CDPIK3CAPIK3CB
SCHEMBL924512 0.73 PIK3CG (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL2397147 0.73 MEN1 (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2396380 0.73 PIK3CD (0.62) MEN1KMT2APIK3CDPIK3CAPIK3CB
SCHEMBL2397832 0.72 MEN1 (0.61) NPC1RAB9AMEN1KMT2AMAPT

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 12 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
CN-1816549-B Phosphatidylinositol 3-kinase inhibitors NOVARTIS AG 2010-09-29 CN disclosed
EP-2157091-A1 Inhibitors of phosphatidylinositol 3-kinase Novartis AG (CH) 2010-02-24 EP disclosed
CN-101648949-A inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG CH 2010-02-17 CN 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
CN-1816549-A Phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2006-08-09 CN 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 NPC1 1629/4885RAB9A 916/4885MEN1 1009/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C NPC1 1578/4885RAB9A 906/4885MEN1 1083/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C NPC1 1578/4885RAB9A 906/4885MEN1 1083/4885

“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.