SCHEMBL4668968

SCHEMBL4668968

Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC(N)C1)n2Cc1cc(F)cc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
TSHR P16473 6/20 0.56
ALOX15 P16050 2/20 0.56
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
NPSR1 Q6W5P4 3/20 0.56
DPP4 P27487 2/20 0.56
MAPK1 P28482 3/20 0.55
HTT P42858 1/20 0.55
THRB P10828 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 3/20 0.51
SIRT5 Q9NXA8 1/20 0.49

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
SCHEMBL4668769 0.92 ALDH1A1 (0.59) ALDH1A1TSHRALOX15KMT2AMEN1
SCHEMBL6674513 0.90 DPP4 (0.66) ALDH1A1TSHRALOX15KMT2AMEN1
SCHEMBL4669779 0.88 DPP4 (0.58) ALDH1A1TSHRALOX15KMT2AMEN1
SCHEMBL4668663 0.88 TSHR (0.73) ALDH1A1TSHRALOX15KMT2AMEN1
SCHEMBL4666981 0.85 TSHR (0.72) ALDH1A1TSHRALOX15KMT2AMEN1
SCHEMBL555339 0.85 DPP4 (0.77) ALDH1A1TSHRNPSR1DPP4MAPK1
SCHEMBL4668509 0.82 DPP4 (0.57) ALDH1A1TSHRALOX15KMT2AMEN1
SCHEMBL4669803 0.81 TSHR (0.68) ALDH1A1TSHRALOX15KMT2AMEN1
SCHEMBL28728107 0.80 DPP4 (0.72) DPP4
SCHEMBL4668592 0.80 TSHR (0.83) ALDH1A1TSHRALOX15KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 US claimed
EP-1404675-B1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK AS (DK) 2008-03-12 EP disclosed
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-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 US 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
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
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 ALDH1A1 176/4885TSHR 3409/4885ALOX15 3058/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 ALDH1A1 55/4885TSHR 3634/4885ALOX15 2799/4885

“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.