SCHEMBL339578

SCHEMBL339578

NCc1cc2nccn2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.43
KEAP1 Q14145 1/20 0.42
EGLN2 Q96KS0 1/20 0.41
DPP8 Q6V1X1 6/20 0.41
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.36
TGFBR1 P36897 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL338931 0.87 KEAP1 (0.40) DPP4KEAP1DPP8NPC1TGFBR1
SCHEMBL338894 0.87 KEAP1 (0.43) DPP4KEAP1DPP8NPC1TGFBR1
SCHEMBL1913156 0.87 EGLN2 (0.41) DPP4EGLN2DPP8NPC1TGFBR1
SCHEMBL339621 0.87 EGLN2 (0.41) DPP4EGLN2NPC1TGFBR1KMT2A
SCHEMBL339046 0.84 KEAP1 (0.38) DPP4KEAP1
SCHEMBL4767528 0.80 CNR1 (0.40) NPC1LMNA
SCHEMBL340289 0.79 DPP4 (0.41) DPP4DPP8LMNACYP3A4CYP2C9
SCHEMBL339079 0.77 LMNA (0.44) DPP4EGLN2DPP8NPC1LMNA
SCHEMBL339519 0.77 DPP4 (0.37) DPP4EGLN2DPP8NPC1TGFBR1
SCHEMBL339104 0.76 KDM4E (0.45) EGLN2NPC1CYP3A4

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 12 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
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
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 DPP4 120/4885KEAP1 1121/4885EGLN2 1199/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885KEAP1 1121/4885EGLN2 1199/4885

“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.