SCHEMBL971894

SCHEMBL971894

Fc1ccccc1-n1[c]ncn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
NOTUM Q6P988 1/20 0.33
TP53 P04637 1/20 0.32
MAPK14 Q16539 1/20 0.32
USP7 Q93009 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KCNN4 O15554 1/20 0.31

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
SCHEMBL9763550 0.65 MEN1 (0.37) MGLLMEN1KMT2ARAB9ATDP1
SCHEMBL17145963 0.64 MGLL (0.43) MGLLMEN1KMT2ARAB9ATDP1
SCHEMBL9158738 0.64 MGLL (0.39) MGLLMEN1KMT2ARAB9ATDP1
SCHEMBL29984835 0.63 CYP1A2 (0.48) MGLLMEN1KMT2ARAB9ATDP1
SCHEMBL6656755 0.63 CYP1A2 (0.48) MGLLMEN1KMT2ARAB9ATDP1
SCHEMBL1900818 0.61 RAB9A (0.39) MGLLMEN1KMT2ARAB9ATDP1
SCHEMBL5546865 0.60 GRM4 (0.48) MGLLMEN1KMT2ARAB9ATDP1
SCHEMBL29635605 0.60 MAPK1 (0.56) MGLLMEN1KMT2AALDH1A1NOTUM
SCHEMBL12841362 0.60 RAB9A (0.44) MGLLMEN1KMT2ARAB9ATDP1
SCHEMBL2350243 0.59 KCNN4 (0.41) MGLLMEN1KMT2AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US disclosed
WO-2011157682-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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 (5 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD MGLL 967/4885MEN1 2670/4885KMT2A 3422/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 MGLL 1910/4885MEN1 2997/4885KMT2A 2072/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD MGLL 967/4885MEN1 2670/4885KMT2A 3422/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK MGLL 884/4885MEN1 3170/4885KMT2A 3040/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 MGLL 981/4885MEN1 2117/4885KMT2A 3535/4885

“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.