SCHEMBL339630

SCHEMBL339630

NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.44
DPP8 Q6V1X1 7/20 0.42
DPP9 Q86TI2 1/20 0.38
PTPN11 Q06124 1/20 0.38
GSK3B P49841 1/20 0.37
EGLN2 Q96KS0 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
SCHEMBL338674 0.99 DPP4 (0.43) DPP4DPP8DPP9PTPN11GSK3B
SCHEMBL338976 0.92 DPP4 (0.47) DPP4DPP8DPP9
SCHEMBL340316 0.85 DPP4 (0.48) DPP4DPP8DPP9GSK3BEGLN2
SCHEMBL340211 0.82 DPP4 (0.49) DPP4DPP8DPP9GSK3BEGLN2
SCHEMBL339769 0.81 DPP4 (0.46) DPP4DPP8DPP9GSK3B
SCHEMBL339164 0.81 DPP4 (0.45) DPP4DPP8DPP9GSK3BEGLN2
SCHEMBL340317 0.79 DPP4 (0.46) DPP4DPP8DPP9GSK3BEGLN2
SCHEMBL339649 0.79 DPP4 (0.46) DPP4DPP8DPP9GSK3BEGLN2
SCHEMBL339641 0.78 DPP4 (0.39) DPP4DPP8DPP9PTPN11GSK3B
SCHEMBL340315 0.78 DPP4 (0.45) DPP4DPP8DPP9GSK3BEGLN2

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 10 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
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 WO 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 403/4885DPP9 380/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885DPP9 380/4885

“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.