SCHEMBL3839079

SCHEMBL3839079

COc1cnc2ccc(I)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
F2 P00734 1/20 0.54
GLA P06280 1/20 0.54
HPGD P15428 1/20 0.54
PDGFRB P09619 8/20 0.50
PDGFRA P16234 8/20 0.50
EGFR P00533 3/20 0.49
APP P05067 4/20 0.46
MET P08581 2/20 0.39
NCF1 P14598 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NQO2 P16083 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGDS O60760 1/20 0.37

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
SCHEMBL27930034 0.86 PDGFRB (0.58) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL7028923 0.85 ALDH1A1 (0.70) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL15041953 0.80 ALDH1A1 (0.55) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL360304 0.79 ALDH1A1 (0.54) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL620457 0.79 ALDH1A1 (0.58) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL620427 0.79 ALDH1A1 (0.54) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL17585451 0.79 PDGFRB (0.54) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL18848508 0.78 NOS1 (0.42) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL19514121 0.76 ALDH1A1 (0.51) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL20193578 0.76 ALDH1A1 (0.51) ALDH1A1F2GLAHPGDPDGFRB

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 ALDH1A1 293/4885F2 692/4885GLA 785/4885

“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.