SCHEMBL338893

SCHEMBL338893

COCCNc1c(CN)c(-c2ccc(Cl)cc2Cl)cn2ccnc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.41
DPP8 Q6V1X1 6/20 0.41
CYP3A4 P08684 2/20 0.41
GSK3B P49841 1/20 0.39
ALPL P05186 1/20 0.37
MAPK14 Q16539 1/20 0.36
HTT P42858 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
SCHEMBL339648 0.89 DPP4 (0.44) DPP4DPP8CYP3A4GSK3B
SCHEMBL868860 0.87 DPP4 (0.43) DPP4DPP8CYP3A4GSK3B
SCHEMBL339691 0.87 GSK3B (0.41) DPP4DPP8GSK3B
SCHEMBL339163 0.87 DPP4 (0.44) DPP4DPP8GSK3B
SCHEMBL340317 0.84 DPP4 (0.46) DPP4DPP8CYP3A4GSK3B
SCHEMBL338266 0.84 DPP4 (0.44) DPP4DPP8GSK3B
SCHEMBL339528 0.81 DPP4 (0.40) DPP4DPP8CYP3A4GSK3B
SCHEMBL338833 0.81 DPP4 (0.39) DPP4DPP8GSK3B
SCHEMBL340316 0.80 DPP4 (0.48) DPP4DPP8GSK3B
SCHEMBL340211 0.78 DPP4 (0.49) DPP4DPP8GSK3B

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 403/4885CYP3A4 85/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885CYP3A4 85/4885

“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.