SCHEMBL338833

SCHEMBL338833

NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1NCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.39
GSK3B P49841 1/20 0.38
DPP8 Q6V1X1 5/20 0.38
PRKCQ Q04759 2/20 0.36
DPP9 Q86TI2 1/20 0.34
PTPN11 Q06124 1/20 0.34

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
SCHEMBL339163 0.85 DPP4 (0.44) DPP4GSK3BDPP8DPP9
SCHEMBL1911455 0.84 DPP4 (0.38) DPP4DPP8
SCHEMBL339641 0.84 DPP4 (0.39) DPP4GSK3BDPP8DPP9PTPN11
SCHEMBL339648 0.84 DPP4 (0.44) DPP4GSK3BDPP8
SCHEMBL339691 0.84 GSK3B (0.41) DPP4GSK3BDPP8DPP9
SCHEMBL338908 0.83 CNR1 (0.40) DPP4GSK3BDPP8DPP9
SCHEMBL340317 0.83 DPP4 (0.46) DPP4GSK3BDPP8DPP9
SCHEMBL338266 0.83 DPP4 (0.44) DPP4GSK3BDPP8
SCHEMBL868860 0.82 DPP4 (0.43) DPP4GSK3BDPP8
SCHEMBL339528 0.82 DPP4 (0.40) DPP4GSK3BDPP8DPP9

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 5 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-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 120/4885GSK3B 2067/4885DPP8 403/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885GSK3B 2067/4885DPP8 403/4885

“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.