SCHEMBL13734825

SCHEMBL13734825

[N-]=[N+]=NCc1ccc(-c2ccccc2Cl)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.39
MAOB P27338 1/20 0.37
IDO1 P14902 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
LDHA P00338 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
LMNA P02545 1/20 0.33
HSD11B1 P28845 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
ATP4A P20648 2/20 0.31
ATP4B P51164 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL13735131 0.83 HSP90AA1 (0.36) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13737187 0.82 IL4I1 (0.40) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13734540 0.82 KDM4E (0.37) NPC1RAB9AALDH1A1KDM4E
SCHEMBL13735849 0.79 KDM4E (0.40) ALDH1A1KDM4E
SCHEMBL13734835 0.76 KDM4E (0.37) ALDH1A1KDM4E
SCHEMBL13734509 0.76 ALDH1A1 (0.49) CNR2MAOBIDO1NPC1RAB9A
SCHEMBL10946287 0.75 CNR2 (0.56) CNR2MAOBIDO1NPC1RAB9A
SCHEMBL13736284 0.75 KDM4E (0.55) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13734841 0.74 ALDH1A1 (0.43) ALDH1A1GAAKDM4E
SCHEMBL13736293 0.72 KDM4E (0.32) ALDH1A1KDM4E

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-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US disclosed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US disclosed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US disclosed
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors AMGEN INC. 2014-08-07 US disclosed
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors AMGEN INC. 2014-08-07 US disclosed
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors AMGEN INC. 2014-08-07 US disclosed
EP-2702063-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-03-05 EP disclosed
WO-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 WO disclosed
WO-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 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 (1 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-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors PIM1, PIM2, PIM3 CNR2 3705/4885MAOB 1709/4885IDO1 86/4885

“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.