SCHEMBL10162825

SCHEMBL10162825

COc1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
GRM4 Q14833 1/20 0.46
MAPK1 P28482 3/20 0.44
AURKA O14965 2/20 0.44
RPS6KB1 P23443 2/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 0.42
OXTR P30559 1/20 0.42
CDK1 P06493 2/20 0.42
EGFR P00533 2/20 0.42
HTT P42858 1/20 0.42
ERBB2 P04626 2/20 0.42
PDE5A O76074 1/20 0.41
CCNB2 O95067 1/20 0.41

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
SCHEMBL13593902 0.91 GRM4 (0.45) MAPTGRM4MAPK1AURKARPS6KB1
SCHEMBL14470108 0.91 GRM4 (0.45) MAPTGRM4MAPK1AURKARPS6KB1
SCHEMBL8229782 0.91 GRM4 (0.45) GRM4MAPK1AURKARPS6KB1EGFR
SCHEMBL13594204 0.91 GRM4 (0.45) GRM4MAPK1AURKARPS6KB1EGFR
SCHEMBL10162594 0.90 GRM4 (0.48) MAPTGRM4MAPK1AURKARPS6KB1
SCHEMBL10166134 0.90 GRM4 (0.49) GRM4MAPK1AURKARPS6KB1SMN1; SMN2
SCHEMBL8230338 0.90 GRM4 (0.46) MAPTGRM4MAPK1AURKARPS6KB1
SCHEMBL13593998 0.90 AURKA (0.43) MAPTMAPK1AURKARPS6KB1GAA
SCHEMBL10162788 0.89 GRM4 (0.51) GRM4MAPK1AURKARPS6KB1MEN1
SCHEMBL10162804 0.89 GRM4 (0.44) MAPTGRM4MAPK1AURKARPS6KB1

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 MAPT 3533/4885GRM4 4373/4885MAPK1 2860/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MAPT 3533/4885GRM4 4373/4885MAPK1 2860/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MAPT 3533/4885GRM4 4373/4885MAPK1 2860/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MAPT 3533/4885GRM4 4373/4885MAPK1 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.