SCHEMBL10163631

SCHEMBL10163631

COC(=O)c1cc(C)nc2cccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 7/20 0.50
DAPK3 O43293 1/20 0.50
JAK2 O60674 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
ABL1 P00519 1/20 0.50
CSF1R P07333 1/20 0.50
RET P07949 1/20 0.50
MET P08581 1/20 0.50
PDGFRA P16234 1/20 0.50
PRKACA P17612 1/20 0.50
LTK P29376 1/20 0.50
GRK5 P34947 1/20 0.50
KDR P35968 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
CSNK1A1 P48729 1/20 0.50
CDK8 P49336 1/20 0.50
CLK2 P49760 1/20 0.50

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
SCHEMBL8247383 0.82 KDM4E (0.48) ALDH1A1KDM4EDAPK3JAK2PRKD3
SCHEMBL10163632 0.77 KDM4E (0.48) ALDH1A1KDM4EDAPK3JAK2PRKD3
SCHEMBL4257194 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EDAPK3JAK2PRKD3
SCHEMBL4266173 0.76 KDM4E (0.40) ALDH1A1KDM4ECSF1RRETLTK
SCHEMBL24655998 0.74 MAPK1 (0.74) ALDH1A1KDM4EDAPK3JAK2PRKD3
SCHEMBL351286 0.74 F2 (0.40) ALDH1A1KDM4ECSF1RRETLTK
SCHEMBL2498113 0.72 NPC1 (0.55) ALDH1A1KDM4EDAPK3JAK2PRKD3
SCHEMBL21893768 0.71 KDM4E (0.43) ALDH1A1KDM4EMAPK1KMT2ASMN1; SMN2
SCHEMBL286358 0.71 ALDH1A1 (0.71) ALDH1A1KDM4EDAPK3JAK2PRKD3
SCHEMBL13162051 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EDAPK3JAK2PRKD3

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 7 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-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-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-20070155737-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 (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 ALDH1A1 3954/4885KDM4E 418/4885DAPK3 1596/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885DAPK3 960/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885DAPK3 960/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885DAPK3 960/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885KDM4E 2058/4885DAPK3 960/4885

“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.