SCHEMBL10163757

SCHEMBL10163757

CC(C)(C)OC(=O)NCc1ccnc(C(F)(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.45
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNA1C Q13936 1/20 0.43
KDM4A O75164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
NAMPT P43490 1/20 0.39
ATR Q13535 1/20 0.39
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GRM2 Q14416 1/20 0.36
SREBF2 Q12772 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL28620381 0.82 KDM4A (0.41) CACNA1HCACNA1BCACNA1CKDM4AL3MBTL1
SCHEMBL30290047 0.82 KDM4A (0.41) CACNA1HCACNA1BCACNA1CKDM4AL3MBTL1
SCHEMBL445560 0.81 STK17B (0.48) AAK1KDM4AL3MBTL1CA12CA1
SCHEMBL23795985 0.80 KDM4A (0.42) KDM4AL3MBTL1CA12CA1CA2
SCHEMBL17979293 0.79 CACNA1H (0.46) AAK1CACNA1HCACNA1BCACNA1CKDM4A
SCHEMBL28606906 0.79 KDM4A (0.41) CACNA1HCACNA1BCACNA1CKDM4AL3MBTL1
SCHEMBL2628546 0.78 ACE (0.48) AAK1
SCHEMBL23063629 0.78 CTSS (0.48) AAK1KDM4AL3MBTL1CA12CA1
SCHEMBL23795924 0.78 KDM4A (0.41) CACNA1HCACNA1BCACNA1CKDM4AL3MBTL1
SCHEMBL28266370 0.78 CA1 (0.44) KDM4AL3MBTL1CA12CA1CA2

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 11 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
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 (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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 AAK1 3571/4885CACNA1H 2465/4885CACNA1B 1798/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 AAK1 3571/4885CACNA1H 2465/4885CACNA1B 1798/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 AAK1 3571/4885CACNA1H 2465/4885CACNA1B 1798/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 AAK1 3571/4885CACNA1H 2465/4885CACNA1B 1798/4885

“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.