SCHEMBL8219968

SCHEMBL8219968

CN(C)C(=O)c1cccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3ccnn23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
NAMPT P43490 1/20 0.38
ROCK2 O75116 2/20 0.38
POLB P06746 1/20 0.38
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
MMP13 P45452 2/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
TP53 P04637 3/20 0.37
LIPG Q9Y5X9 1/20 0.36
ROCK1 Q13464 1/20 0.36
METTL3 Q86U44 1/20 0.35
METTL14 Q9HCE5 1/20 0.35
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL10163560 0.93 L3MBTL1 (0.39) POLBCCNE1CDK2MMP13ADAMTS4
SCHEMBL10162853 0.91 POLB (0.39) POLBMMP13ADAMTS4MMP3MMP8
SCHEMBL8219963 0.91 MAPK1 (0.41) ROCK2POLBMMP13ADAMTS4MMP3
SCHEMBL10208202 0.91 ENPP2 (0.43) ROCK2POLBMMP13ADAMTS4MMP3
SCHEMBL10163597 0.90 POLB (0.38) POLBMMP13ADAMTS4MMP3MMP8
SCHEMBL10162873 0.89 TP53 (0.44) NAMPTPOLBMMP13ADAMTS4MMP3
SCHEMBL10162848 0.88 POLB (0.48) POLBMMP13ADAMTS4MMP3MMP8
SCHEMBL8229567 0.88 ROCK2 (0.42) ROCK2POLBMMP13ADAMTS4MMP3
SCHEMBL8229558 0.87 MMP13 (0.40) CYP2C9NAMPTROCK2POLBMMP13
SCHEMBL8225302 0.86 HPGD (0.40) POLBMMP13ADAMTS4MMP3MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (3 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 CYP2C9 468/4885NAMPT 536/4885ROCK2 1967/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 CYP2C9 468/4885NAMPT 536/4885ROCK2 1967/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CYP2C9 468/4885NAMPT 536/4885ROCK2 1967/4885

“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.