SCHEMBL3858531

SCHEMBL3858531

O=c1ccc(-c2ccccc2)nn1Cc1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
HDAC1 Q13547 4/20 0.59
TP53 P04637 2/20 0.54
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL11140135 0.89 POLB (0.74) POLBMEN1KMT2AHDAC1TP53
SCHEMBL3694088 0.86 MEN1 (0.67) POLBMEN1KMT2AHDAC1TP53
SCHEMBL3847408 0.86 MET (0.60) POLBMEN1KMT2ATP53PDE4A
SCHEMBL3841611 0.82 MAPT (0.70) POLBMEN1KMT2AHDAC1PDE4A
SCHEMBL23297286 0.81 POLB (0.63) POLBMEN1KMT2AHDAC1TP53
SCHEMBL23297311 0.79 MEN1 (0.66) POLBMEN1KMT2AHDAC1TP53
SCHEMBL23297284 0.78 MEN1 (0.60) POLBMEN1KMT2AHDAC1TP53
SCHEMBL11175020 0.78 MEN1 (0.59) POLBMEN1KMT2AHDAC1TP53
SCHEMBL11096921 0.78 MEN1 (0.59) POLBMEN1KMT2ATP53HTT
SCHEMBL23297309 0.77 HDAC1 (0.61) POLBMEN1KMT2AHDAC1TP53

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-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
EP-2114898-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS Amgen Inc. (US) 2009-11-11 EP disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 US disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 WO disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 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-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use HGF, HGFAC, MET POLB 1502/4885MEN1 358/4885KMT2A 2851/4885

“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.