SCHEMBL970563

SCHEMBL970563

[c]1cccc2cc(-c3nccs3)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
RAB9A P51151 1/20 0.38
PDPK1 O15530 1/20 0.38
CYP2A6 P11509 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
SYK P43405 2/20 0.33
HSP90AA1 P07900 1/20 0.33
ROCK2 O75116 2/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32

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
SCHEMBL972092 0.77
SCHEMBL1799025 0.75 METAP1 (0.50) METAP1RAB9APDPK1ROCK2KDR
SCHEMBL971369 0.73 KDM4E (0.52) METAP1RAB9AHSP90AA1CYP1A2
SCHEMBL1559810 0.71 KDM4E (0.57) METAP1RAB9APDPK1ADORA2AADORA1
SCHEMBL1653103 0.71 HSP90AA1 (0.40) METAP1RAB9APDPK1CYP2A6ADORA2A
SCHEMBL1655577 0.69 METAP1 (0.35) METAP1RAB9APDPK1CYP2A6ADORA2A
SCHEMBL12783283 0.68 METAP1 (0.37) METAP1RAB9APDPK1SYKROCK2
SCHEMBL1653949 0.68 METAP1 (0.37) METAP1RAB9APDPK1CYP2A6ADORA2A
SCHEMBL1653108 0.68 CYP2A6 (0.42) METAP1RAB9APDPK1CYP2A6ADORA2A
SCHEMBL578376 0.67 PDPK1 (0.52) METAP1RAB9APDPK1CYP2A6ADORA2A

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 6 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-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 METAP1 1570/4885RAB9A 3528/4885PDPK1 112/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD METAP1 1570/4885RAB9A 3528/4885PDPK1 112/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK METAP1 1716/4885RAB9A 3487/4885PDPK1 122/4885

“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.