SCHEMBL338579

SCHEMBL338579

Cc1ccc(-c2cn3ccnc3cc2CN)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
AXL P30530 5/20 0.37
FLT3 P36888 5/20 0.37
MERTK Q12866 5/20 0.37
TGFBR1 P36897 3/20 0.36
TGFBR2 P37173 1/20 0.36
PDE10A Q9Y233 1/20 0.34
RORC P51449 2/20 0.33
DYRK1A Q13627 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
DRD1 P21728 1/20 0.31
NSD3 Q9BZ95 1/20 0.31

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
SCHEMBL338894 0.87 KEAP1 (0.43) KEAP1AXLFLT3MERTKTGFBR1
SCHEMBL338931 0.87 KEAP1 (0.40) KEAP1AXLFLT3MERTKTGFBR1
SCHEMBL339578 0.76 DPP4 (0.43) KEAP1TGFBR1
SCHEMBL340198 0.75 KEAP1 (0.46) KEAP1AXLFLT3MERTKTGFBR1
SCHEMBL337911 0.74 KEAP1 (0.42) KEAP1AXLFLT3MERTKTGFBR1
SCHEMBL338262 0.69 DPP4 (0.33)
SCHEMBL339243 0.69 NCF1 (0.37) TP53
SCHEMBL12181697 0.69 AXL (0.39) KEAP1AXLFLT3MERTKTGFBR1
SCHEMBL340044 0.68 HTR1A (0.37)
SCHEMBL338617 0.68 PIK3CA (0.38) TGFBR1

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 1121/4885AXL 1566/4885FLT3 3747/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC KEAP1 1121/4885AXL 1566/4885FLT3 3747/4885

“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.