SCHEMBL970352

SCHEMBL970352

CN(C)CCNc1ccc2n[c]sc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
CYP2C19 P33261 1/20 0.41
DNM2 P50570 4/20 0.39
NCF1 P14598 2/20 0.38
TOP2A P11388 1/20 0.38
SLC2A1 P11166 2/20 0.36
TLR9 Q9NR96 1/20 0.36
CSNK2A1 P68400 2/20 0.35
POLB P06746 2/20 0.35
RAD52 P43351 2/20 0.35
NPC1 O15118 1/20 0.35
APOBEC3A P31941 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
PABPC1 P11940 1/20 0.34
EIF4H Q15056 1/20 0.34
SMARCA2 P51531 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 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
SCHEMBL4636099 0.84 PIM1 (0.39) PIM1
SCHEMBL973136 0.75 MAOB (0.49) NCF1
SCHEMBL2666864 0.74 HRH3 (0.51) HRH3CYP2C19DNM2NCF1TOP2A
SCHEMBL969389 0.74 DUT (0.30)
SCHEMBL972022 0.74 HRH3 (0.43) HRH3
SCHEMBL968935 0.71 HTR7 (0.46)
SCHEMBL13408575 0.69 HRH3 (0.40) HRH3CYP2C19DNM2NCF1RAD52
SCHEMBL6395494 0.69 NCF1 (0.56) HRH3CYP2C19NCF1TOP2ASLC2A1
SCHEMBL972353 0.68 NCF1 (0.40) NCF1NPC1RAB9A
SCHEMBL4873803 0.67 MAP4K4 (0.38) HRH3CYP2C19CSNK2A1KMT2AMAP4K4

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
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
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-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US 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
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

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 HRH3 4045/4885CYP2C19 394/4885DNM2 4399/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 HRH3 4747/4885CYP2C19 1324/4885DNM2 2732/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD HRH3 4045/4885CYP2C19 394/4885DNM2 4399/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK HRH3 4306/4885CYP2C19 408/4885DNM2 4002/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 HRH3 4048/4885CYP2C19 199/4885DNM2 2799/4885

“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.