SCHEMBL339783

SCHEMBL339783

N#Cc1c(-c2ccc(Cl)cc2Cl)cn2c(N3CCOCC3)cnc2c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.44
MTOR P42345 1/20 0.44
GRM2 Q14416 1/20 0.42
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CRHR1 P34998 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
AR P10275 1/20 0.39
MAPK1 P28482 2/20 0.38
CNR2 P34972 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
DPP4 P27487 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL338698 0.90 PIK3CA (0.46) PIK3CAMTORGRM2KDM4EL3MBTL1
SCHEMBL13657927 0.83 PIK3CA (0.41) PIK3CAMTORGRM2KDM4EL3MBTL1
SCHEMBL339017 0.83 DPP4 (0.48) CRHR1NPC1RAB9AARCNR2
SCHEMBL1911548 0.82 CRHR1 (0.41) PIK3CAMTORKDM4ECRHR1NPC1
SCHEMBL8232552 0.82 CRHR1 (0.43) PIK3CAKDM4ECRHR1NPC1RAB9A
SCHEMBL338998 0.81 PIK3CA (0.41) PIK3CAMTORGRM2KDM4EL3MBTL1
SCHEMBL339025 0.79 DPP4 (0.48) KDM4ECRHR1NPC1RAB9AAR
SCHEMBL8230186 0.77 GRM2 (0.43) PIK3CAMTORGRM2KDM4EL3MBTL1
SCHEMBL1911545 0.76 CRHR1 (0.42) PIK3CAMTORKDM4ECRHR1NPC1
SCHEMBL338627 0.76 DPP4 (0.45) PIK3CAMTORKDM4ECRHR1NPC1

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-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
EP-2004643-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 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 (2 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC PIK3CA 1666/4885MTOR 826/4885GRM2 2465/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC PIK3CA 1666/4885MTOR 826/4885GRM2 2465/4885

“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.