SCHEMBL15660847

SCHEMBL15660847

Cc1cnc(-c2cn[nH]c2N)s1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ILK Q13418 8/20 0.47
▸ NOS1 P29475 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GFER P55789 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
SCHEMBL15661647 0.71 ILK (0.47) ILKNOS1LMNAMAPTGAA
SCHEMBL10002194 0.71 NOS1 (0.55) NOS1MAPT
SCHEMBL1207018 0.70 ALDH1A1 (0.47) NOS1MAPTTDP1GAAKDM4E
SCHEMBL15661761 0.69 ILK (0.44) ILKNOS1LMNAMAPTTDP1
SCHEMBL20040128 0.69 NOS1 (0.54) NOS1MAPTTDP1ALDH1A1HTT
SCHEMBL2335843 0.68 NOS1 (0.44) NOS1
SCHEMBL15659764 0.67 ILK (0.43) ILKLMNAMAPTTDP1GAA
SCHEMBL17203208 0.67 NOS1 (0.46) NOS1
SCHEMBL4614810 0.67 NOS1 (0.42) ILKNOS1MAPTTDP1GAA
SCHEMBL20073715 0.66 GAA (0.44) NOS1MAPTTDP1GAAKDM4E

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
US-10392389-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2019-08-27 — — US disclosed
US-20150284395-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2015-10-08 — — US disclosed
WO-2014066795-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2014-05-01 — — WO 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-10392389-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 ILK 3392/4885NOS1 2256/4885LMNA 1114/4885
US-20150284395-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 ILK 3392/4885NOS1 2256/4885LMNA 1114/4885

“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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