SCHEMBL339887

SCHEMBL339887

NCc1cc2ncc(N3CCN(C(=O)c4cnccn4)CC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.41
DPP8 Q6V1X1 5/20 0.41
DPP9 Q86TI2 5/20 0.41
GRM5 P41594 1/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
GBA1 P04062 1/20 0.38
SLC2A1 P11166 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
USP2 O75604 2/20 0.37
CYP2C9 P11712 2/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 2/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 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
SCHEMBL340052 0.86 DPP4 (0.43) DPP4DPP8DPP9SLC2A1
SCHEMBL339494 0.85 SLC2A1 (0.43) DPP4DPP8DPP9SLC2A1CYP11B2
SCHEMBL339604 0.84 AKT1 (0.44) DPP4DPP8DPP9LMNA
SCHEMBL338966 0.84 ALDH1A1 (0.46) DPP4DPP8DPP9LMNAMAPK1
SCHEMBL339823 0.84 TSHR (0.42) DPP4DPP8DPP9GRM5LMNA
SCHEMBL339937 0.83 HSD17B10 (0.41) DPP4DPP8DPP9GRM5SLC2A1
SCHEMBL868597 0.82 MAPK1 (0.46) DPP4DPP8DPP9LMNAMAPK1
SCHEMBL1911465 0.82 IDE (0.46) DPP4DPP8DPP9LMNAMAPK1
SCHEMBL338824 0.81 DPP4 (0.37) DPP4DPP8DPP9GRM5
SCHEMBL339214 0.81 SLC2A2 (0.44) GRM5

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.