SCHEMBL28447

SCHEMBL28447

[c]1cn(-c2ccncc2)nn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
PLD1 Q13393 1/20 0.36
CHKA P35790 1/20 0.35
BCHE P06276 1/20 0.34
FLT3 P36888 2/20 0.33
GSK3B P49841 1/20 0.33
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
EP300 Q09472 1/20 0.31
KAT2B Q92831 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
SCHEMBL496797 0.80 NOTUM (0.43) MAOAMAPT
SCHEMBL15657033 0.77 NOTUM (0.47) FLT3LMNAMAPT
SCHEMBL4311390 0.77 NOTUM (0.47) FLT3GSK3BLMNAMAPT
SCHEMBL27984093 0.72 NOTUM (0.51) MAPT
SCHEMBL27786874 0.72 P2RX7 (0.45) LMNAMAPT
SCHEMBL28266420 0.69 RXRA (0.43) MAPT
SCHEMBL28267917 0.69 ALDH1A1 (0.44) LMNAMAPT
SCHEMBL27765044 0.68 CYP1B1 (0.47)
SCHEMBL28266286 0.68 RXRA (0.38) KAT2B
SCHEMBL28267877 0.68 NOTUM (0.47) LMNAMAPT

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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 MAOA 667/4885ADRB2 4541/4885NCF1 2048/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 MAOA 744/4885ADRB2 4591/4885NCF1 2063/4885

“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.