SCHEMBL3844485

SCHEMBL3844485

COc1ccc2c(OCC(C)Br)ccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
MET P08581 15/20 0.47
FERMT2 Q96AC1 1/20 0.47
CYP3A4 P08684 3/20 0.45
GAK O14976 1/20 0.45
RIPK2 O43353 1/20 0.45
COQ8A Q8NI60 1/20 0.45
NLK Q9UBE8 1/20 0.45
PRKACG P22612 1/20 0.45
AURKA O14965 1/20 0.44
KDR P35968 1/20 0.44
TEK Q02763 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL2608925 0.89 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL3846004 0.86 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL8145365 0.82 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL13443841 0.81 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL23479845 0.81 MET (0.53) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL3841609 0.80 MET (0.55) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL12762533 0.80 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL3839036 0.80 HTR1A (0.50) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL13896310 0.78 MET (0.56) HTR1AADRA1DADRA1AADRA1BMET
SCHEMBL3839042 0.78 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BMET

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-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
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 HTR1A 3914/4885ADRA1D 3613/4885ADRA1A 3497/4885

“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.