SCHEMBL4229010

SCHEMBL4229010

COC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)nc2ccnn12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.45
CACNA1H O95180 4/20 0.45
CACNA1I Q9P0X4 4/20 0.45
MMP13 P45452 5/20 0.45
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
MET P08581 1/20 0.42
PDGFRA P16234 1/20 0.42
S1PR3 Q99500 1/20 0.41
PPARG P37231 2/20 0.41
PDE10A Q9Y233 1/20 0.41
MAPK1 P28482 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL8185121 0.92 MMP13 (0.56) MMP13PPARGMAPK1
SCHEMBL8191109 0.91 MAPK1 (0.45) MMP13MAPK1
SCHEMBL10165651 0.89 MMP13 (0.46) CACNA1GCACNA1HCACNA1IMMP13MET
SCHEMBL4224949 0.88 MMP13 (0.48) CACNA1GCACNA1HCACNA1IMMP13MET
SCHEMBL8253130 0.88 EGLN1 (0.44) METPDE10AROCK2ROCK1
SCHEMBL8179149 0.88 MMP13 (0.40) MMP13S1PR3MAPK1ROCK2ROCK1
SCHEMBL4255358 0.86 MMP13 (0.47) CACNA1GCACNA1HCACNA1IMMP13MET
SCHEMBL10162592 0.86 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IMMP13MET
SCHEMBL10162460 0.85 MMP13 (0.45) CACNA1GCACNA1HCACNA1IMMP13MET
SCHEMBL14124308 0.85 CACNA1G (0.46) CACNA1GCACNA1HCACNA1IMMP13MET

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 17 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
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
EP-2038284-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2007139860-A2 HETEROBICYLIC 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
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 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 (5 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 CACNA1G 2351/4885CACNA1H 2455/4885CACNA1I 2128/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 CACNA1G 2170/4885CACNA1H 2465/4885CACNA1I 1645/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 CACNA1G 2170/4885CACNA1H 2465/4885CACNA1I 1645/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CACNA1G 2170/4885CACNA1H 2465/4885CACNA1I 1645/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CACNA1G 2170/4885CACNA1H 2465/4885CACNA1I 1645/4885

“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.