SCHEMBL2619305

SCHEMBL2619305

CCC(=O)Nc1cc(CC)ccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 1/20 0.63
PKM P14618 1/20 0.54
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
TYK2 P29597 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NR3C2 P08235 5/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPK14 Q16539 2/20 0.46
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK10 P53779 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
ACVRL1 P37023 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 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
SCHEMBL13180243 0.87 RIOK2 (0.60) RIOK2PKMJAK2TYK2MEN1
SCHEMBL15350436 0.87 LOXL2 (0.61) RIOK2PKMJAK2JAK1TYK2
SCHEMBL13415578 0.87 RIOK2 (0.60) RIOK2PKMMEN1KMT2ANR3C2
SCHEMBL91333 0.85 RIOK2 (0.57) RIOK2PKMJAK2JAK1TYK2
SCHEMBL25985837 0.84 RIOK2 (0.57) RIOK2PKMMEN1KMT2ANR3C2
SCHEMBL14273251 0.83 BRAF (0.61) RIOK2PKMJAK2JAK1TYK2
SCHEMBL13180241 0.82 PKM (0.64) RIOK2PKMMEN1KMT2ANR3C2
SCHEMBL20988697 0.82 RIOK2 (0.54) RIOK2PKMJAK2JAK1TYK2
SCHEMBL631091 0.81 JAK2 (0.68) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL16311114 0.81 JAK2 (0.53) RIOK2PKMJAK2JAK1TYK2

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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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 (4 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 RIOK2 1336/4885PKM 2117/4885JAK2 67/4885
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 RIOK2 1447/4885PKM 1790/4885JAK2 109/4885
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 RIOK2 1164/4885PKM 1752/4885JAK2 83/4885
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 RIOK2 1394/4885PKM 2285/4885JAK2 82/4885

“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.