SCHEMBL10168110

SCHEMBL10168110

COC(=O)c1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.43
MAPK1 P28482 4/20 0.42
MMP13 P45452 3/20 0.42
ERBB2 P04626 2/20 0.39
EGFR P00533 2/20 0.39
PPARG P37231 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RPS6KB1 P23443 4/20 0.38
AURKA O14965 3/20 0.38
WDR5 P61964 2/20 0.38
MMP10 P09238 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
KDR P35968 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 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
SCHEMBL10168277 0.92 GRM4 (0.44) GRM4MAPK1MMP13PPARGHDAC3
SCHEMBL13593920 0.92 MAPK1 (0.41) GRM4MAPK1MMP13ERBB2EGFR
SCHEMBL13593902 0.91 GRM4 (0.45) GRM4MAPK1MMP13ERBB2EGFR
SCHEMBL10162751 0.90 GRM4 (0.43) GRM4MAPK1MMP13ERBB2EGFR
SCHEMBL10211500 0.88 GRM4 (0.45) GRM4MAPK1MMP13ERBB2EGFR
SCHEMBL10162594 0.87 GRM4 (0.48) GRM4MAPK1MMP13ERBB2EGFR
SCHEMBL10162825 0.87 MAPT (0.46) GRM4MAPK1ERBB2EGFRRPS6KB1
SCHEMBL13185579 0.87 MMP13 (0.49) MMP13RPS6KB1AURKAMMP10MMP9
SCHEMBL10168111 0.87 HDAC3 (0.42) GRM4MAPK1MMP13ERBB2EGFR
SCHEMBL10162743 0.87 GRM4 (0.47) GRM4MAPK1MMP13ERBB2EGFR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRM4 4373/4885MAPK1 2860/4885MMP13 1/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 GRM4 4373/4885MAPK1 2860/4885MMP13 1/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GRM4 4373/4885MAPK1 2860/4885MMP13 1/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GRM4 4373/4885MAPK1 2860/4885MMP13 1/4885

“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.