SCHEMBL340212

SCHEMBL340212

COCCC(=O)Nc1nnc2cc(CN)c(-c3ccc(Cl)cc3Cl)cn12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.39
DPP8 Q6V1X1 12/20 0.39
ALPL P05186 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
DPP9 Q86TI2 7/20 0.35
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL338950 0.91 ALDH1A1 (0.40) DPP4DPP8ALPLDPP9ALDH1A1
SCHEMBL339703 0.79 P2RX7 (0.45)
SCHEMBL338577 0.78 GSK3B (0.39) DPP4DPP8DPP9ALDH1A1MAPT
SCHEMBL339881 0.77 GSK3B (0.36) DPP4DPP8DPP9
SCHEMBL1911445 0.77 P2RX7 (0.38) DPP4DPP8TNKSTNKS2PARP2
SCHEMBL338848 0.77 P2RX7 (0.38) DPP4DPP8TNKSTNKS2PARP2
SCHEMBL1912414 0.77 P2RX7 (0.38) DPP4DPP8TNKSTNKS2PARP2
SCHEMBL339320 0.76 DPP4 (0.41) DPP4DPP8DPP9HPGD
SCHEMBL339777 0.76 EPHX2 (0.38) DPP4DPP8DPP9
SCHEMBL339259 0.73 CHRM3 (0.33) DPP4TNKSTNKS2PARP2ALDH1A1

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 8 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-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 403/4885ALPL 1177/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885ALPL 1177/4885

“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.