SCHEMBL1891863

SCHEMBL1891863

Cc1nc(Nc2cnccn2)sc1-c1ccnc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
LCK P06239 3/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 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 0.39
NR2F2 P24468 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL1888443 0.85 NPC1 (0.48) KDRADORA3ADORA2AADORA1LCK
SCHEMBL1887632 0.82 MAPT (0.51) KDRMEN1KMT2ANPC1RAB9A
SCHEMBL2397191 0.80 KDR (0.45) KDRADORA3ADORA2AADORA1LCK
SCHEMBL2395328 0.80 KDR (0.49) KDRADORA3ADORA2AADORA1LCK
SCHEMBL1886940 0.80 NPC1 (0.39) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL1895171 0.79 ADORA3 (0.52) KDRADORA3ADORA2AADORA1LCK
SCHEMBL5737578 0.79 KDR (0.39) KDRADORA3ADORA2AADORA1LCK
SCHEMBL1883556 0.79 CDK1 (0.32) KDRLCKNPC1RAB9AMAPT
SCHEMBL2398117 0.79 PIK3CD (0.50) LCKMEN1KMT2APIK3CDPIK3CA
SCHEMBL2398032 0.79 PIK3CD (0.47) LCKMEN1KMT2APIK3CDPIK3CA

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 KDR 1010/4885ADORA3 2002/4885ADORA2A 3290/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C KDR 931/4885ADORA3 1903/4885ADORA2A 3141/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C KDR 931/4885ADORA3 1903/4885ADORA2A 3141/4885

“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.