SCHEMBL12100397

SCHEMBL12100397

COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCC3C)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.48
MAPT P10636 1/20 0.43

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
SCHEMBL12093874 1.00 NAMPT (0.48) NAMPTMAPT
SCHEMBL12100398 1.00 NAMPT (0.48) NAMPTMAPT
SCHEMBL12100300 0.97 NAMPT (0.47) NAMPTMAPT
SCHEMBL12100787 0.91 SYK (0.41) NAMPTMAPT
SCHEMBL12100788 0.91 SYK (0.41) NAMPTMAPT
SCHEMBL9951058 0.90 HPGD (0.52) NAMPTMAPT
SCHEMBL1458603 0.90 HPGD (0.52) NAMPTMAPT
SCHEMBL1458151 0.90 HPGD (0.52) NAMPTMAPT
SCHEMBL10204567 0.90 HPGD (0.52) NAMPTMAPT
SCHEMBL12093865 0.90 KDM4E (0.50) NAMPTMAPT

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
EP-2681207-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2016-12-28 EP disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 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-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 NAMPT 544/4885MAPT 3629/4885

“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.