Sugi Predict

Sugi Predict / Compounds / SCHEMBL340165

SCHEMBL340165

SCHEMBL340165

NCc1cc2ncc(N3CCNC(=O)C3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.42
▸ DPP8 Q6V1X1 4/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ SLC2A2 P11168 1/20 0.39
▸ EIF2AK4 Q9P2K8 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ PAK3 O75914 1/20 0.32
▸ PAK4 O96013 1/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ LIMK2 P53671 1/20 0.32
▸ PAK1 Q13153 1/20 0.32
▸ PAK2 Q13177 1/20 0.32
▸ PKN1 Q16512 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ SLC2A1 P11166 1/20 0.31

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
SCHEMBL339424 0.86 DPP4 (0.43) DPP4DPP8PAK3PAK4LIMK1
SCHEMBL340037 0.83 DPP4 (0.39) DPP4DPP8DPP9
SCHEMBL338512 0.82 DPP4 (0.53) DPP4DPP8DPP9SLC2A2RAB9A
SCHEMBL1911442 0.81 DPP4 (0.34) DPP4DPP8DPP9
SCHEMBL339127 0.81 DPP4 (0.43) DPP4DPP8DPP9SLC2A2RAB9A
SCHEMBL338785 0.81 DPP4 (0.39) DPP4DPP8DPP9PAK4PAK1
SCHEMBL339235 0.81 DPP4 (0.43) DPP4DPP8DPP9
SCHEMBL1911441 0.79 DPP4 (0.33) DPP4DPP8DPP9
SCHEMBL1913178 0.79 PAK3 (0.41) DPP4PAK3PAK4LIMK1LIMK2
SCHEMBL339494 0.79 SLC2A1 (0.43) DPP4DPP8DPP9SLC2A2SMN1; SMN2

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 403/4885DPP9 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.