SCHEMBL4667083

SCHEMBL4667083

Cc1ccccc1Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.64
HTT P42858 2/20 0.64
TSHR P16473 5/20 0.62
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
ALOX15 P16050 4/20 0.59
ALDH1A1 P00352 4/20 0.59
HSD17B10 Q99714 4/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TP53 P04637 3/20 0.57
ADORA2A P29274 1/20 0.56
CASP1 P29466 1/20 0.56
BRCA1 P38398 1/20 0.56
CASP7 P55210 1/20 0.56

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
SCHEMBL1542286 0.89 TSHR (0.78) HTTTSHRLMNASMN1; SMN2CYP1A2
SCHEMBL1457597 0.86 ALDH1A1 (0.62) HTTTSHRLMNASMN1; SMN2CYP1A2
SCHEMBL1457365 0.86 HTT (0.62) HTTTSHRLMNASMN1; SMN2CYP1A2
SCHEMBL637460 0.86 TSHR (0.67) PCSK9HTTTSHRLMNASMN1; SMN2
SCHEMBL556698 0.85 ALDH1A1 (0.68) HTTTSHRLMNASMN1; SMN2CYP1A2
SCHEMBL555173 0.84 HTT (0.78) PCSK9HTTTSHRLMNASMN1; SMN2
SCHEMBL555383 0.83 DPP4 (0.61) HTTTSHRLMNASMN1; SMN2CYP1A2
SCHEMBL555468 0.82 HTT (0.58) HTTTSHRLMNASMN1; SMN2CYP1A2
SCHEMBL23297786 0.81 HTT (0.53) PCSK9HTTTSHRLMNASMN1; SMN2
SCHEMBL16029209 0.79 HTT (0.78) HTTTSHRLMNASMN1; SMN2CYP1A2

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 PCSK9 119/4885HTT 2249/4885TSHR 3409/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 PCSK9 162/4885HTT 2467/4885TSHR 3634/4885

“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.