SCHEMBL5481680

SCHEMBL5481680

Cc1cnc(NCCC2CCCN2CC2CC2)c(=O)n1CCO

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.39
METAP2 P50579 1/20 0.32
MELK Q14680 2/20 0.32
PRSS1 P07477 3/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
TYK2 P29597 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL5477450 0.97 F2 (0.39) F2METAP2PRSS1PRSS2PRSS3
SCHEMBL8292991 0.90 F2 (0.38) F2MELKJAK2JAK1TYK2
SCHEMBL5474422 0.85 F2 (0.37) F2METAP2PRSS1PRSS2PRSS3
SCHEMBL5483406 0.79 ALOX5AP (0.39) F2
SCHEMBL7026286 0.77 F2 (0.45) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7018692 0.77 F2 (0.45) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7020182 0.77 F2 (0.45) F2PRSS1PRSS2PRSS3
SCHEMBL5484745 0.76 ATM (0.39) F2PRSS1PRSS2PRSS3
SCHEMBL8293958 0.75 F2 (0.42) F2PRSS1PRSS2PRSS3
SCHEMBL8293357 0.74 F2 (0.41) F2PRSS1JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 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-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 F2 1/4885METAP2 891/4885MELK 3818/4885

“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.