SCHEMBL969980

SCHEMBL969980

N#Cc1ccc(-c2cn[c]cn2)s1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
INPPL1 O15357 2/20 0.38
MAPK1 P28482 1/20 0.36
PIK3CA P42336 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
PGR P06401 6/20 0.33
TRPA1 O75762 1/20 0.33
BACE1 P56817 1/20 0.32
LRRK2 Q5S007 1/20 0.31
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL2645332 0.72 KDM1A (0.52) KDM1AINPPL1MAPK1PIK3CAMAPK8
SCHEMBL13074418 0.71 PGR (0.43) KDM1AINPPL1MAPK1PIK3CAMAPK8
SCHEMBL498595 0.69 PGR (0.42) KDM1AINPPL1MAPK1PIK3CAMAPK8
SCHEMBL5903745 0.67 KDM1A (0.40) KDM1AINPPL1MAPK1PIK3CAMAPK8
SCHEMBL971977 0.67 KDM4E (0.50) MAPK1MAPK10
SCHEMBL15220429 0.65 KDM1A (0.41) KDM1APGRTRPA1BACE1
SCHEMBL7610762 0.65 ALDH1A1 (0.34)
SCHEMBL17701211 0.65 PIM1 (0.33)
SCHEMBL445395 0.64
SCHEMBL5937169 0.64 P4HA1 (0.56) KDM1AMAPK1PIK3CAMAPK8MAPK9

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-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2009127546-A1 PYRROLIDINONE 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 KDM1A 3099/4885INPPL1 1663/4885MAPK1 787/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 KDM1A 1764/4885INPPL1 2073/4885MAPK1 1010/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD KDM1A 3099/4885INPPL1 1663/4885MAPK1 787/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK KDM1A 3373/4885INPPL1 2215/4885MAPK1 841/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 KDM1A 4261/4885INPPL1 3293/4885MAPK1 2866/4885

“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.