SCHEMBL13736331

SCHEMBL13736331

[N-]=[N+]=NCc1cccnn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.35
KAT2B Q92831 2/20 0.33
GOT1 P17174 1/20 0.31
VNN1 O95497 1/20 0.31
P2RX7 Q99572 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
SCHEMBL15259719 0.75 HRH4 (0.47) KDM4EALDH1A1KAT2B
SCHEMBL30401900 0.74 ALDH1A1 (0.49) KDM4EALDH1A1
SCHEMBL13983037 0.74 ALDH1A1 (0.49) KDM4EALDH1A1
SCHEMBL13734835 0.71 KDM4E (0.37) KDM4EALDH1A1
SCHEMBL3076036 0.69 CYP1A2 (0.47) ALDH1A1CYP1A2CTDSP1GOT1VNN1
SCHEMBL3079246 0.69 CYP1A2 (0.47) CYP1A2CTDSP1GOT1VNN1P2RX7
SCHEMBL13734841 0.69 ALDH1A1 (0.43) KDM4EALDH1A1
SCHEMBL20417166 0.69 HRH4 (0.41) KDM4EALDH1A1KAT2B
SCHEMBL24915610 0.68 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL17768583 0.68 HRH4 (0.40) KDM4EALDH1A1

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 4 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-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

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 KDM4E 743/4885ALDH1A1 719/4885CYP1A2 627/4885

“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.