SCHEMBL339319

SCHEMBL339319

COc1ccccc1-c1cnc2cc(CN)c(-c3ccc(Cl)cc3Cl)cn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.48
DPP8 Q6V1X1 3/20 0.48
RIPK2 O43353 3/20 0.48
FYN P06241 1/20 0.40
LYN P07948 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CRHR1 P34998 1/20 0.38
DPP9 Q86TI2 2/20 0.37
CYP3A4 P08684 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL339824 0.85 RIPK2 (0.44) DPP4DPP8RIPK2FYNLYN
SCHEMBL339714 0.83 DPP4 (0.45) DPP4DPP8NPSR1NPC1RAB9A
SCHEMBL869021 0.83 DPP4 (0.45) DPP4DPP8RIPK2FYNLYN
SCHEMBL339141 0.79 DPP4 (0.43) DPP4DPP8RIPK2FYNNPC1
SCHEMBL338487 0.79 DPP4 (0.46) DPP4DPP8RIPK2LYNDPP9
SCHEMBL339884 0.78 CYP3A4 (0.40) DPP4DPP8FYNDPP9CYP3A4
SCHEMBL339203 0.78 KDR (0.44) DPP4DPP8FYNNPSR1L3MBTL1
SCHEMBL338576 0.77 DPP4 (0.40) DPP4DPP8DPP9CYP3A4MEN1
SCHEMBL338630 0.77 DPP4 (0.45) DPP4DPP8RIPK2FYNLYN
SCHEMBL339336 0.76 DPP4 (0.43) DPP4DPP8RIPK2FYNDPP9

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 9 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

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 120/4885DPP8 403/4885RIPK2 2858/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885RIPK2 2858/4885

“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.