SCHEMBL4668592

SCHEMBL4668592

Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC[C@@H](N)C1)n2Cc1ccccc1Cl

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.83
ALDH1A1 P00352 5/20 0.83
HSD17B10 Q99714 2/20 0.83
THRB P10828 1/20 0.83
HTT P42858 3/20 0.73
GAA P10253 2/20 0.73
DPP4 P27487 12/20 0.67
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.61
ALOX15 P16050 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
USP2 O75604 2/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59

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
SCHEMBL4668505 1.00 TSHR (0.83) TSHRALDH1A1HSD17B10THRBHTT
SCHEMBL4667765 0.97 ALDH1A1 (0.79) TSHRALDH1A1HSD17B10THRBHTT
SCHEMBL4669803 0.90 TSHR (0.68) TSHRALDH1A1HSD17B10THRBHTT
SCHEMBL4668807 0.90 DPP4 (0.68) TSHRALDH1A1HSD17B10THRBHTT
SCHEMBL4668663 0.90 TSHR (0.73) TSHRALDH1A1HSD17B10THRBHTT
SCHEMBL4668646 0.88 DPP4 (0.75) TSHRALDH1A1HSD17B10THRBDPP4
SCHEMBL1068145 0.88 TSHR (0.64) TSHRALDH1A1HSD17B10THRBHTT
SCHEMBL4666981 0.87 TSHR (0.72) TSHRALDH1A1HSD17B10THRBHTT
SCHEMBL14569478 0.87 TSHR (0.63) TSHRALDH1A1HSD17B10THRBHTT
SCHEMBL4667020 0.87 TSHR (0.63) TSHRALDH1A1HSD17B10THRBHTT

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 TSHR 3409/4885ALDH1A1 176/4885HSD17B10 143/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 TSHR 3634/4885ALDH1A1 55/4885HSD17B10 156/4885

“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.