SCHEMBL340052

SCHEMBL340052

Cn1cnc(C(=O)N2CCN(c3cnc4cc(CN)c(-c5ccc(Cl)cc5Cl)cn34)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.43
DPP8 Q6V1X1 7/20 0.43
DPP9 Q86TI2 6/20 0.43
RBP4 P02753 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALPL P05186 3/20 0.35
AKT1 P31749 1/20 0.35
SLC2A2 P11168 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
RET P07949 1/20 0.35
SLC2A1 P11166 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
SCHEMBL339494 0.86 SLC2A1 (0.43) DPP4DPP8DPP9HPGDSMN1; SMN2
SCHEMBL339887 0.86 DPP4 (0.41) DPP4DPP8DPP9SLC2A1
SCHEMBL339604 0.85 AKT1 (0.44) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL339823 0.85 TSHR (0.42) DPP4DPP8DPP9SMN1; SMN2AKT1
SCHEMBL338785 0.83 DPP4 (0.39) DPP4DPP8DPP9
SCHEMBL338966 0.83 ALDH1A1 (0.46) DPP4DPP8DPP9SMN1; SMN2KMT2A
SCHEMBL339214 0.82 SLC2A2 (0.44) SMN1; SMN2SLC2A2RET
SCHEMBL1911465 0.81 IDE (0.46) DPP4DPP8DPP9AKT1SLC2A2
SCHEMBL868597 0.81 MAPK1 (0.46) DPP4DPP8DPP9KMT2ASLC2A2
SCHEMBL340318 0.81 EPHX2 (0.43) DPP4HPGDMEN1KMT2ASLC2A2

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.