SCHEMBL2425904

SCHEMBL2425904

[O]c1cc(C(F)(F)F)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
TLR7 Q9NYK1 1/20 0.50
ADRB2 P07550 1/20 0.50
IGF1R P08069 4/20 0.47
BACE1 P56817 1/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 1/20 0.46
ELANE P08246 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
NT5E P21589 1/20 0.44
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL28311336 0.79 ADORA2A (0.55) ADORA2AADORA1TLR7ADRB2IGF1R
SCHEMBL693661 0.79 NT5E (0.62) ADORA2AADORA1TLR7ADRB2IGF1R
SCHEMBL3300391 0.79 BACE1 (0.66) ADORA2AADORA1TLR7ADRB2IGF1R
SCHEMBL11893019 0.79 TLR7 (0.55) ADORA2AADORA1TLR7ADRB2IGF1R
SCHEMBL3962730 0.79 ADORA2A (0.51) ADORA2AADORA1TLR7ADRB2IGF1R
SCHEMBL31473229 0.78 CYP1A2 (0.58) ADORA2AADORA1TLR7ADRB2BACE1
SCHEMBL423741 0.78 CYP1A2 (0.58) ADORA2AADORA1TLR7ADRB2BACE1
SCHEMBL30106724 0.78 ADORA2A (0.54) ADORA2AADORA1TLR7ADRB2IGF1R
SCHEMBL2657337 0.78 ADORA2A (0.54) ADORA2AADORA1TLR7ADRB2IGF1R
SCHEMBL30106738 0.78 NCF1 (0.55) ADORA2AADORA1TLR7ADRB2IGF1R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853243-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2014-10-07 US disclosed
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US disclosed
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 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-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 ADORA2A 2618/4885ADORA1 2428/4885TLR7 1917/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 ADORA2A 2478/4885ADORA1 2039/4885TLR7 1851/4885

“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.