SCHEMBL17996859

SCHEMBL17996859

COC(=O)c1ccc2nc(-c3ccccc3)c(C3CCC(NC(=O)OC(C)(C)C)CC3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 1/20 0.48
▸ CKS1B P61024 1/20 0.47
▸ SKP1 P63208 1/20 0.47
▸ SKP2 Q13309 1/20 0.47
▸ KDM1A O60341 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ HPGD P15428 5/20 0.43
▸ NAMPT P43490 6/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MCOLN3 Q8TDD5 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL10204341 0.84 CKS1B (0.57) LIPGCKS1BSKP1SKP2HPGD
SCHEMBL12100253 0.79 MAPT (0.41) LIPGCKS1BSKP1SKP2NAMPT
SCHEMBL12100256 0.79 MAPT (0.41) LIPGCKS1BSKP1SKP2NAMPT
SCHEMBL20467482 0.79 HPGD (0.66) CKS1BSKP1SKP2HPGDNAMPT
SCHEMBL15665909 0.77 ALDH1A1 (0.56) HPGDKDM4EALDH1A1GAANPC1
SCHEMBL15666608 0.77 NPSR1 (0.51) HPGDNAMPTKDM4EALDH1A1GAA
SCHEMBL12100119 0.76 NAMPT (0.41) LIPGCKS1BSKP1SKP2KDM1A
SCHEMBL12100120 0.76 NAMPT (0.41) LIPGCKS1BSKP1SKP2KDM1A
SCHEMBL1459071 0.75 HPGD (0.52) HPGDNAMPTKDM4EALDH1A1GAA
SCHEMBL12578243 0.75 ALDH1A1 (0.69) HPGDKDM4EALDH1A1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868708-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2018-01-16 — — US disclosed
US-9868708-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2018-01-16 — — US disclosed
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2016-08-11 — — US disclosed
US-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2016-08-11 — — 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-20160229815-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 LIPG 671/4885CKS1B 217/4885SKP1 664/4885

“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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