SCHEMBL1243754

SCHEMBL1243754

O=c1ncnc2cccnn12

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.43
EGLN2 Q96KS0 15/20 0.42
KLK7 P49862 1/20 0.37
DYRK1A Q13627 2/20 0.36
PDE4A P27815 1/20 0.36

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
SCHEMBL7017550 0.73 ADORA3 (0.50) MKNK1EGLN2KLK7DYRK1APDE4A
SCHEMBL11456589 0.71 MKNK1 (0.42) MKNK1EGLN2KLK7DYRK1APDE4A
SCHEMBL31314234 0.68 MKNK1 (0.47) MKNK1EGLN2KLK7DYRK1APDE4A
SCHEMBL4068982 0.66
SCHEMBL14639038 0.65 MKNK1 (0.49) MKNK1KLK7DYRK1A
SCHEMBL22045741 0.65 MKNK1 (0.49) MKNK1EGLN2KLK7DYRK1APDE4A
SCHEMBL2862103 0.65 MKNK1 (0.49) MKNK1KLK7DYRK1APDE4A
SCHEMBL16376208 0.65 ADORA3 (0.55)
SCHEMBL84692 0.65 MKNK1 (0.53) MKNK1EGLN2KLK7DYRK1APDE4A
SCHEMBL22510132 0.65 MKNK1 (0.53) MKNK1EGLN2KLK7DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884104-B2 Such as (3R,4R)-1-Pyrimidin-4-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine bis-trifluoroacetic acid salt MERCK SHARP & DOHME CORP. (US) 2011-02-08 US disclosed
EP-1796669-B1 AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-09-22 EP disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 US 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-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 MKNK1 2684/4885EGLN2 858/4885KLK7 2315/4885

“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.