SCHEMBL972019

SCHEMBL972019

COC(=O)c1cc2ccn[c]c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.41
XDH P47989 3/20 0.41
ABL1 P00519 8/20 0.39
SRC P12931 7/20 0.39
GAA P10253 2/20 0.39
ALPL P05186 3/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL1569113 0.71 HRH4 (0.56) XDHABL1GAALMNAKDM4E
SCHEMBL4271585 0.69 HRH4 (0.57) ABL1SRC
SCHEMBL31088687 0.69 HRH4 (0.57) ABL1SRC
SCHEMBL20504460 0.69 XDH (0.47) CYP1A2MAPK1XDHABL1SRC
SCHEMBL1655586 0.69 XDH (0.47) CYP1A2MAPK1XDHABL1SRC
SCHEMBL30220574 0.69 XDH (0.47) CYP1A2MAPK1XDHABL1SRC
Hydrochloric Acid SCHEMBL1879831 0.68 HRH4 (0.56) ABL1SRC
SCHEMBL1569349 0.68 NAMPT (0.64) XDH
SCHEMBL19252935 0.67 XDH (0.51) CYP1A2MAPK1XDHABL1SRC
SCHEMBL992605 0.67 DAO (0.65) CYP1A2MAPK1XDHABL1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102007116-B Pyridazinone glucokinase activators HOFFMAN-LA ROCHE LTD. (CH) 2014-10-22 CN disclosed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CYP1A2 630/4885MAPK1 787/4885XDH 188/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD CYP1A2 630/4885MAPK1 787/4885XDH 188/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK CYP1A2 651/4885MAPK1 841/4885XDH 199/4885

“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.