SCHEMBL971369

SCHEMBL971369

[c]1cccc2cc(-c3ccccn3)[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GSK3B P49841 2/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
CCR1 P32246 3/20 0.41
CCR5 P51681 3/20 0.41
CCR8 P51685 3/20 0.41
PKM P14618 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL308319 0.75 GSK3B (0.61) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL29470995 0.75 GSK3B (0.61) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL14838870 0.73 CCNB2 (0.65) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL31704117 0.73 CCNB2 (0.65) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL970563 0.73 METAP1 (0.39) RAB9AMETAP1CYP1A2HSP90AA1
SCHEMBL694241 0.72 LMNA (0.49) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL5478847 0.71 KDM4E (0.55) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL4772827 0.70 ALDH1A1 (0.97) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL31718101 0.70 ALDH1A1 (0.97) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL28460190 0.70 KDM4E (0.61) KDM4ELMNASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD KDM4E 2655/4885LMNA 3678/4885SMN1; SMN2 2275/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK KDM4E 2578/4885LMNA 3588/4885SMN1; SMN2 2837/4885

“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.