SCHEMBL970243

SCHEMBL970243

[c]1ncc(-n2ccnc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.39
CYP2A6 P11509 1/20 0.39
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
ENPP2 Q13822 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
NOTUM Q6P988 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
IDO1 P14902 3/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP19A1 P11511 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33

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
SCHEMBL245104 0.73 CYP3A4 (0.42) CYP3A4CYP2A6LMNAMAPTENPP2
SCHEMBL28061806 0.69 CYP3A4 (0.50) CYP3A4CYP2A6LMNAMAPTENPP2
SCHEMBL28009074 0.65 CYP2A6 (0.38) CYP2A6ALDH1A1
SCHEMBL2649029 0.64 LMNA (0.43) CYP3A4CYP2A6LMNAMAPTENPP2
SCHEMBL16923117 0.64 CYP3A4 (0.54) CYP3A4CYP2A6LMNAMAPTENPP2
SCHEMBL7644186 0.63 CYP3A4 (0.48) CYP3A4CYP2A6LMNAMAPTENPP2
SCHEMBL29241982 0.61 CYP3A4 (0.42) CYP3A4CYP2A6LMNAMAPTENPP2
SCHEMBL27590600 0.61 CYP3A4 (0.47) CYP3A4CYP2A6LMNAMAPTENPP2
SCHEMBL27754584 0.61 CYP3A4 (0.39) CYP3A4CYP2A6LMNAMAPTENPP2
SCHEMBL9822709 0.61 CYP3A4 (0.38) CYP3A4CYP2A6LMNAMAPTENPP2

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 9 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
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
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US 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

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 CYP3A4 576/4885CYP2A6 257/4885LMNA 3678/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 CYP3A4 2098/4885CYP2A6 1902/4885LMNA 3936/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD CYP3A4 576/4885CYP2A6 257/4885LMNA 3678/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK CYP3A4 551/4885CYP2A6 419/4885LMNA 3588/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 CYP3A4 252/4885CYP2A6 180/4885LMNA 2712/4885

“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.