SCHEMBL13736236

SCHEMBL13736236

[N-]=[N+]=NCc1ccc(-c2nccs2)nn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
IL4I1 Q96RQ9 1/20 0.40
HSP90AA1 P07900 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDPK1 O15530 1/20 0.33
SYK P43405 3/20 0.32
SRC P12931 1/20 0.32
ADRB2 P07550 1/20 0.31
CYP2A6 P11509 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RECQL P46063 1/20 0.30
KAT2B Q92831 1/20 0.30

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
SCHEMBL13734887 0.75 RAB9A (0.46) RAB9AIL4I1HSP90AA1LOXL2PDPK1
SCHEMBL13736284 0.74 KDM4E (0.55) RAB9AHSP90AA1KDM4EALDH1A1NPC1
SCHEMBL31124069 0.71 KDM4E (0.33) LOXL2KDM4EALDH1A1PDPK1ADRB2
SCHEMBL13734835 0.69 KDM4E (0.37) KDM4EALDH1A1
SCHEMBL13735849 0.69 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL13734906 0.69 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL13734540 0.69 KDM4E (0.37) RAB9AKDM4EALDH1A1NPC1PKM
SCHEMBL13736293 0.68 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL18641416 0.68 LOXL2 (0.32) LOXL2PDPK1CYP2A6
SCHEMBL16560320 0.68

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 RAB9A 4537/4885IL4I1 756/4885HSP90AA1 3614/4885

“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.