SCHEMBL339691

SCHEMBL339691

NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1NCCO

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
DPP4 P27487 17/20 0.41
DPP8 Q6V1X1 10/20 0.40
DPP9 Q86TI2 3/20 0.35
EGLN2 Q96KS0 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
SCHEMBL339648 0.90 DPP4 (0.44) GSK3BDPP4DPP8
SCHEMBL868860 0.88 DPP4 (0.43) GSK3BDPP4DPP8
SCHEMBL339163 0.87 DPP4 (0.44) GSK3BDPP4DPP8DPP9
SCHEMBL338893 0.87 DPP4 (0.41) GSK3BDPP4DPP8
SCHEMBL340317 0.85 DPP4 (0.46) GSK3BDPP4DPP8DPP9EGLN2
SCHEMBL338266 0.84 DPP4 (0.44) GSK3BDPP4DPP8
SCHEMBL338833 0.84 DPP4 (0.39) GSK3BDPP4DPP8DPP9
SCHEMBL339528 0.84 DPP4 (0.40) GSK3BDPP4DPP8DPP9
SCHEMBL340316 0.82 DPP4 (0.48) GSK3BDPP4DPP8DPP9EGLN2
SCHEMBL340211 0.80 DPP4 (0.49) GSK3BDPP4DPP8DPP9EGLN2

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