SCHEMBL3859504

SCHEMBL3859504

COc1cnc2ccc(Cn3cc(I)ccc3=O)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 6/20 0.45
▸ ALDH1A1 P00352 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ SDHB P21912 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
SCHEMBL3867819 0.79 GRIN2B (0.43) METSDHB
SCHEMBL32665634 0.77 CMA1 (0.51) ALDH1A1ALOX15SDHB
SCHEMBL3839079 0.74 ALDH1A1 (0.54) METALDH1A1F2GLAHPGD
SCHEMBL3841596 0.72 MET (0.67) METHSD17B10CLK4
SCHEMBL20193578 0.72 ALDH1A1 (0.51) METALDH1A1F2GLAHPGD
SCHEMBL3846380 0.70 ALDH1A1 (0.54) METALDH1A1F2GLAHPGD
SCHEMBL3839226 0.70 ALDH1A1 (0.50) METALDH1A1F2GLAHPGD
SCHEMBL18360073 0.70 LMNA (0.51) METALDH1A1USP2
SCHEMBL2697677 0.69 PTGS1 (0.66) METALDH1A1F2GLAHPGD
SCHEMBL14005970 0.68 MET (0.46) METCLK4

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 MET 3/4885ALDH1A1 293/4885F2 692/4885

“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.

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