SCHEMBL4255982

SCHEMBL4255982

CNc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2ccnn12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 6/20 0.46
CACNA1H O95180 6/20 0.46
CACNA1I Q9P0X4 6/20 0.46
MMP13 P45452 5/20 0.43
MAPK1 P28482 1/20 0.41
PDE10A Q9Y233 1/20 0.41
MAOB P27338 1/20 0.41
MET P08581 1/20 0.41
CHRM4 P08173 1/20 0.40
PPARG P37231 2/20 0.39
SCD O00767 1/20 0.39

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
SCHEMBL4998583 0.91 PDE10A (0.46) CACNA1GCACNA1HCACNA1IMMP13MAPK1
SCHEMBL4255358 0.87 MMP13 (0.47) CACNA1GCACNA1HCACNA1IMMP13MAOB
SCHEMBL10165651 0.86 MMP13 (0.46) CACNA1GCACNA1HCACNA1IMMP13MAPK1
SCHEMBL14124308 0.86 CACNA1G (0.46) CACNA1GCACNA1HCACNA1IMMP13MAPK1
SCHEMBL4260178 0.85 CACNA1G (0.45) CACNA1GCACNA1HCACNA1IMMP13MAPK1
SCHEMBL4224949 0.85 MMP13 (0.48) CACNA1GCACNA1HCACNA1IMMP13MAPK1
SCHEMBL8184004 0.85 CACNA1G (0.45) CACNA1GCACNA1HCACNA1IMMP13MAOB
SCHEMBL4258247 0.84 CACNA1G (0.50) CACNA1GCACNA1HCACNA1IMMP13MAPK1
SCHEMBL4229010 0.84 CACNA1G (0.45) CACNA1GCACNA1HCACNA1IMMP13MAPK1
SCHEMBL4260309 0.83 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IMMP13MAPK1

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
EP-2102211-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals Holding, Inc. (US) 2009-09-23 EP disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
WO-2008063671-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 CACNA1G 1476/4885CACNA1H 1429/4885CACNA1I 1173/4885

“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.