SCHEMBL339046

SCHEMBL339046

COc1cc(Cl)ccc1-c1cn2ccnc2cc1CN

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
GRM5 P41594 3/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
NAMPT P43490 1/20 0.37
F11 P03951 2/20 0.36
KLKB1 P03952 2/20 0.36
SUV39H2 Q9H5I1 7/20 0.36
DPP4 P27487 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CRHR1 P34998 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 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
SCHEMBL338894 0.84 KEAP1 (0.43) KEAP1DPP4
SCHEMBL339578 0.84 DPP4 (0.43) KEAP1DPP4
SCHEMBL338931 0.77 KEAP1 (0.40) KEAP1SUV39H2DPP4
SCHEMBL338579 0.74 KEAP1 (0.46) KEAP1
SCHEMBL1913156 0.74 EGLN2 (0.41) DPP4
SCHEMBL339621 0.72 EGLN2 (0.41) SUV39H2DPP4
SCHEMBL340198 0.71 KEAP1 (0.46) KEAP1DPP4
SCHEMBL337911 0.70 KEAP1 (0.42) KEAP1
SCHEMBL22491193 0.68 CYP1A2 (0.42) SUV39H2
SCHEMBL19900088 0.68 CYP1A2 (0.42) SUV39H2

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 1121/4885GRM5 2618/4885HSP90AA1 4181/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC KEAP1 1121/4885GRM5 2618/4885HSP90AA1 4181/4885

“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.