SCHEMBL339710

SCHEMBL339710

NCc1cc2ncc(NC(=O)C3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
SLC2A2 P11168 1/20 0.39
GSK3B P49841 2/20 0.39
GSK3A P49840 1/20 0.39
EPHX2 P34913 2/20 0.38
PTGER1 P34995 2/20 0.38
ABL1 P00519 1/20 0.37
POLB P06746 1/20 0.36
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX3 P56373 2/20 0.35
WNT1 P04628 1/20 0.35
DYRK1A Q13627 1/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL4763455 0.89 EPHX2 (0.42) DPP4DPP8DPP9HDAC1HDAC2
SCHEMBL339320 0.85 DPP4 (0.41) DPP4DPP8DPP9HDAC1HDAC2
SCHEMBL338896 0.84 ALDH1A1 (0.40) SLC2A2GSK3BGSK3AEPHX2PTGER1
SCHEMBL338817 0.81 DPP4 (0.52) DPP4DPP8DPP9EPHX2
SCHEMBL338734 0.80 SLC2A2 (0.46) DPP4DPP8DPP9SLC2A2EPHX2
SCHEMBL338911 0.78 DPP4 (0.40) DPP4DPP8DPP9SLC2A2
SCHEMBL338907 0.77 DPP4 (0.38) DPP4DPP8DPP9SLC2A2KMT2A
SCHEMBL338672 0.76 DPP4 (0.49) DPP4DPP8DPP9KMT2APIK3CA
SCHEMBL338620 0.76 ADORA2A (0.41) DPP4DPP8DPP9SLC2A2
SCHEMBL339881 0.75 GSK3B (0.36) DPP4DPP8DPP9GSK3BGSK3A

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 7 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-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

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.