SCHEMBL8249377

SCHEMBL8249377

COC(=O)c1cc(C(=O)O)n2nc(C)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AURKA O14965 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
LTK P29376 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK8 P49336 1/20 0.42
CLK2 P49760 1/20 0.42
CDK5 Q00535 1/20 0.42
ACVR1 Q04771 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LCK P06239 1/20 0.37
MAPT P10636 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
SCHEMBL10164497 0.88 CYP1A2 (0.46) KDM4EALDH1A1HPGDHSD17B10AURKA
SCHEMBL8253933 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL8246398 0.83 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10AURKA
SCHEMBL20064713 0.82 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10AURKA
SCHEMBL8253879 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10AURKA
SCHEMBL21201118 0.81 AURKA (0.55) KDM4EALDH1A1HPGDHSD17B10AURKA
SCHEMBL10165302 0.81 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL20064730 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10AURKA
SCHEMBL20064716 0.78 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10AURKA
SCHEMBL4215549 0.78 PIM1 (0.45) KDM4EALDH1A1HPGDHSD17B10AURKA

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 12 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
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 (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 KDM4E 2058/4885ALDH1A1 1806/4885HPGD 313/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 KDM4E 2058/4885ALDH1A1 1806/4885HPGD 313/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KDM4E 2058/4885ALDH1A1 1806/4885HPGD 313/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KDM4E 2058/4885ALDH1A1 1806/4885HPGD 313/4885

“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.