SCHEMBL4251433

SCHEMBL4251433

CCn1ncc2cc(B(O)O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KMO O15229 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CACNA1H O95180 7/20 0.37
SLC5A2 P31639 1/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
GLS O94925 1/20 0.35
HASPIN Q8TF76 1/20 0.35
NOTUM Q6P988 1/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL29952857 0.79 RECQL (0.60) KMOCA1CA2SLC5A2
SCHEMBL12419297 0.79 RECQL (0.60) KMOCA1CA2SLC5A2
SCHEMBL28491155 0.79 HDAC1 (0.46) HTR2AHTR2CKMOCA1CA2
SCHEMBL250286 0.78 HTR2A (0.49) HTR2AHTR2CKMOCACNA1HSLC5A2
SCHEMBL21172 0.78 TRPA1 (0.42) CA1CA2NOTUM
SCHEMBL29722623 0.78 TRPA1 (0.42) CA1CA2NOTUM
SCHEMBL28493182 0.77 HDAC1 (0.42) KMO
SCHEMBL29769123 0.76 KMO (0.45) HTR2AHTR2CKMOGLSHASPIN
SCHEMBL7071662 0.76 KMO (0.45) HTR2AHTR2CKMOGLSHASPIN
SCHEMBL904726 0.75 SLC5A2 (0.46) HTR2AHTR2CKMOCACNA1HSLC5A2

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 13 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
CN-103459382-B For suppressing the heterocyclic compound of PASK 拜奥埃内杰尼克斯公司 2016-06-29 CN disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
CN-103459382-A Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC 2013-12-18 CN disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
WO-2012119046-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-07 WO disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP 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-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 HTR2A 4227/4885HTR2C 4427/4885KMO 2448/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 HTR2A 841/4885HTR2C 851/4885KMO 342/4885

“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.