SCHEMBL13516355

SCHEMBL13516355

Nc1[nH]ncc1-c1ncccc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA1 P14867 2/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TGFBR1 P36897 3/20 0.38
ILK Q13418 3/20 0.38
NTRK1 P04629 2/20 0.37
MAPK14 Q16539 1/20 0.37
PTK2 Q05397 1/20 0.36
SCN9A Q15858 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
SCHEMBL30444888 0.71 GABRG2 (0.50) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL32667309 0.71 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL15624391 0.71 TDP1 (0.44) LMNAGABRG2GABRB3GABRA5GABRA3
SCHEMBL4510667 0.70 LMNA (0.56) LMNATGFBR1ILKMAPK14
Ammonia Solution, Strong SCHEMBL16037372 0.70 GABRG2 (0.49) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL25377978 0.69 BACE1 (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL30482478 0.69 BACE1 (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2651744 0.69 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL30549074 0.69 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL12480391 0.69 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 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 (2 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-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 LMNA 1114/4885GABRG2 3303/4885GABRB3 2218/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 LMNA 1114/4885GABRG2 3303/4885GABRB3 2218/4885

“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.