SCHEMBL8254483

SCHEMBL8254483

COC(=O)c1cc(C(=O)O)nc2c(Br)cnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LCK P06239 1/20 0.37
KMT2A Q03164 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8253074 0.84 KDM4E (0.39) KDM4EMAPK1L3MBTL1LCKKMT2A
SCHEMBL4258587 0.84 KDM4E (0.39) KDM4EMAPK1L3MBTL1LCKKMT2A
SCHEMBL8247348 0.84 KDM4E (0.39) KDM4EMAPK1L3MBTL1LCKKMT2A
SCHEMBL8246396 0.83 KDM4E (0.44) GSK3BKDM4EMAPK1L3MBTL1KMT2A
SCHEMBL8256626 0.82 TYK2 (0.43) KDM4EMAPK1KMT2AALDH1A1MAPT
SCHEMBL25728547 0.78 GSK3B (0.47) GSK3BKDM4EKMT2AIRAK4ALDH1A1
SCHEMBL25728548 0.76 CDK2 (0.38) GSK3BKDM4EKMT2ARXFP1ALDH1A1
SCHEMBL8247063 0.75 LCK (0.36) KDM4EMAPK1L3MBTL1LCKKMT2A
SCHEMBL8247345 0.74 LCK (0.38) KDM4EMAPK1L3MBTL1LCKKMT2A
SCHEMBL8252288 0.74 NQO2 (0.39) KDM4EMAPK1L3MBTL1LCKKMT2A

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 14 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-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-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
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-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 GSK3B 2910/4885KDM4E 2588/4885MAPK1 4158/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 GSK3B 861/4885KDM4E 2058/4885MAPK1 2860/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 GSK3B 861/4885KDM4E 2058/4885MAPK1 2860/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GSK3B 861/4885KDM4E 2058/4885MAPK1 2860/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GSK3B 861/4885KDM4E 2058/4885MAPK1 2860/4885

“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.