SCHEMBL4669730

SCHEMBL4669730

Cn1c(=O)n(CC(=O)c2ccccc2)c(=O)c2c1nc(Br)n2Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.73
TSHR P16473 6/20 0.69
NPSR1 Q6W5P4 2/20 0.69
RAB9A P51151 1/20 0.69
MAPK1 P28482 2/20 0.68
ALDH1A1 P00352 5/20 0.66
KDM4E B2RXH2 1/20 0.66
POLB P06746 1/20 0.60
MEN1 O00255 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 1/20 0.59
HIF1A Q16665 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
HTT P42858 1/20 0.57
BRAF P15056 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 1/20 0.53
PIK3CG P48736 1/20 0.53

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
SCHEMBL637590 0.87 LMNA (0.58) LMNATSHRNPSR1RAB9AMAPK1
SCHEMBL27609854 0.86 LMNA (0.65) LMNATSHRNPSR1RAB9AMAPK1
SCHEMBL637446 0.86 LMNA (0.59) LMNATSHRNPSR1RAB9AMAPK1
SCHEMBL637616 0.86 LMNA (0.55) LMNATSHRNPSR1RAB9AMAPK1
SCHEMBL1222050 0.85 DPP4 (0.67) LMNATSHRNPSR1MAPK1ALDH1A1
SCHEMBL638163 0.85 DPP4 (0.62) LMNATSHRNPSR1RAB9AMAPK1
SCHEMBL638175 0.85 LMNA (0.58) LMNATSHRNPSR1RAB9AMAPK1
SCHEMBL637288 0.85 LMNA (0.58) LMNATSHRNPSR1RAB9AMAPK1
SCHEMBL637289 0.85 LMNA (0.58) LMNATSHRNPSR1RAB9AMAPK1
SCHEMBL637599 0.84 LMNA (0.54) LMNATSHRNPSR1RAB9AMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404675-B1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK AS (DK) 2008-03-12 EP disclosed
US-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 US disclosed
US-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS B (DK) 2005-07-07 US disclosed
US-6869947-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-03-22 US disclosed
WO-2004033455-A2 HEMISUCCINATE SALTS OF HETEROCYCLIC DPP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-04-22 WO disclosed
EP-1404675-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2004-04-07 EP disclosed
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2003-06-05 US disclosed
WO-2003004496-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-01-16 WO 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-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 LMNA 4238/4885TSHR 3409/4885NPSR1 3067/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 LMNA 4341/4885TSHR 3634/4885NPSR1 2952/4885

“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.