SCHEMBL12100119

SCHEMBL12100119

COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N(C)C3CCC(NC(=O)OC(C)(C)C)CC3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 10/20 0.41
▸ MAPT P10636 1/20 0.39
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ LIPG Q9Y5X9 2/20 0.37
▸ HDAC4 P56524 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL12100120 1.00 NAMPT (0.41) NAMPTMAPTCKS1BSKP1SKP2
SCHEMBL12100204 0.89 NAMPT (0.43) NAMPTMAPTEPHX2
SCHEMBL12100203 0.89 NAMPT (0.43) NAMPTMAPTEPHX2
SCHEMBL12100293 0.88 NAMPT (0.42) NAMPTMAPT
SCHEMBL12100295 0.88 NAMPT (0.42) NAMPTMAPT
SCHEMBL12100144 0.87 NAMPT (0.44) NAMPTMAPT
SCHEMBL12100142 0.87 NAMPT (0.44) NAMPTMAPT
SCHEMBL12100275 0.86 NAMPT (0.46) NAMPTMAPT
SCHEMBL12100444 0.85 GPR119 (0.46) NAMPT
SCHEMBL12687336 0.85 NAMPT (0.46) 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 3629/4885CKS1B 217/4885

“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.

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