SCHEMBL338931

SCHEMBL338931

Cc1ccc(-c2cn3ccnc3cc2CN)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.40
DPP4 P27487 7/20 0.37
AXL P30530 4/20 0.34
FLT3 P36888 4/20 0.34
MERTK Q12866 4/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
LIMK1 P53667 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
DPP8 Q6V1X1 3/20 0.32
DPP9 Q86TI2 2/20 0.32
RORC P51449 1/20 0.32
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32
DYRK1A Q13627 1/20 0.32
TYRO3 Q06418 1/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL338579 0.87 KEAP1 (0.46) KEAP1AXLFLT3MERTKTP53
SCHEMBL339578 0.87 DPP4 (0.43) KEAP1DPP4KMT2ADPP8DPP9
SCHEMBL338894 0.82 KEAP1 (0.43) KEAP1DPP4AXLFLT3MERTK
SCHEMBL339046 0.77 KEAP1 (0.38) KEAP1DPP4SUV39H2
SCHEMBL1913156 0.77 EGLN2 (0.41) DPP4KMT2ADPP8RORCTGFBR1
SCHEMBL339621 0.74 EGLN2 (0.41) DPP4MEN1KMT2ASUV39H2RORC
SCHEMBL340198 0.73 KEAP1 (0.46) KEAP1DPP4AXLFLT3MERTK
SCHEMBL8225073 0.72 FLT3 (0.46) DPP4FLT3TP53MAPK1NPC1
SCHEMBL337911 0.72 KEAP1 (0.42) KEAP1AXLFLT3MERTKTGFBR1
SCHEMBL4767528 0.71 CNR1 (0.40) NPC1

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 10 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-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-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
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US 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 KEAP1 1121/4885DPP4 120/4885AXL 1566/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC KEAP1 1121/4885DPP4 120/4885AXL 1566/4885

“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.