SCHEMBL9905309

SCHEMBL9905309

COc1ccc(Cn2cnc3nc(Cl)n(CC#N)c(=O)c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MET P08581 1/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP11B2 P19099 1/20 0.40
DYRK3 O43781 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK4 Q9NR20 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
MMP13 P45452 2/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
CTSL P07711 2/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL16976838 0.88 GRIN1 (0.46) GAAMETKDM4ECYP11B2ADORA3
SCHEMBL14554321 0.83 CTSL (0.48) METKDM4ECTSLMEN1KMT2A
SCHEMBL1573111 0.79 PDE5A (0.51) GAAMETKDM4ECYP11B2ADORA3
SCHEMBL9905400 0.76 GAA (0.47) GAAKDM4EADORA3MMP13MAPT
SCHEMBL9928536 0.76 GAA (0.39) GAAMETKDM4ECYP11B2ADORA3
SCHEMBL16298436 0.75 GAA (0.50) GAAKDM4EADORA3ALDH1A1ADORA1
SCHEMBL20187546 0.74 TRPA1 (0.54) GAAMETKDM4ECYP11B2GSK3B
SCHEMBL7437138 0.73 SMN1; SMN2 (0.51) GAAALDH1A1MEN1POLBKMT2A
SCHEMBL9905498 0.73 HPGD (0.47) GAAMETKDM4ECYP11B2MAPT
SCHEMBL12808668 0.72 NPSR1 (0.49) GAAMETKDM4ECYP11B2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648517-B1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME (US) 2015-08-05 EP disclosed
EP-2648517-B1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME (US) 2015-08-05 EP disclosed
EP-2648517-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-10-16 EP disclosed
US-20130261140-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME CORP. 2013-10-03 US disclosed
WO-2012078448-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS SCHERING CORPORATION (US) 2012-06-14 WO disclosed
WO-2012078448-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS SCHERING CORPORATION (US) 2012-06-14 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 (1 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-20130261140-A1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP7, DPP3 GAA 87/4885MET 2406/4885KDM4E 1965/4885

“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.