SCHEMBL340317

SCHEMBL340317

CNc1c(CN)c(-c2ccc(Cl)cc2Cl)cn2ccnc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.46
DPP8 Q6V1X1 8/20 0.44
GSK3B P49841 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
DPP9 Q86TI2 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8224818 0.90 EGLN2 (0.40) DPP4DPP8GSK3BEGLN2
SCHEMBL339163 0.89 DPP4 (0.44) DPP4DPP8GSK3BDPP9
SCHEMBL339648 0.87 DPP4 (0.44) DPP4DPP8GSK3BCYP3A4
SCHEMBL338266 0.86 DPP4 (0.44) DPP4DPP8GSK3B
SCHEMBL340316 0.86 DPP4 (0.48) DPP4DPP8GSK3BEGLN2DPP9
SCHEMBL868860 0.85 DPP4 (0.43) DPP4DPP8GSK3BCYP3A4
SCHEMBL339691 0.85 GSK3B (0.41) DPP4DPP8GSK3BEGLN2DPP9
SCHEMBL338893 0.84 DPP4 (0.41) DPP4DPP8GSK3BCYP3A4
SCHEMBL340211 0.83 DPP4 (0.49) DPP4DPP8GSK3BEGLN2DPP9
SCHEMBL339641 0.83 DPP4 (0.39) DPP4DPP8GSK3BDPP9

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 403/4885GSK3B 2067/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885GSK3B 2067/4885

“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.