SCHEMBL10162770

SCHEMBL10162770

CC(C)CNc1n[nH]c2c(C(=O)NCc3ccc(F)c(Cl)c3)ncnc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.45
GRM4 Q14833 1/20 0.45
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MMP13 P45452 1/20 0.39
WDR5 P61964 1/20 0.38
ALPL P05186 1/20 0.38
LMNA P02545 1/20 0.38
ROS1 P08922 1/20 0.37
ALK Q9UM73 1/20 0.37
ERBB2 P04626 2/20 0.37
EGFR P00533 1/20 0.37
PPARG P37231 1/20 0.37
CNR2 P34972 1/20 0.37
AURKA O14965 2/20 0.36
RPS6KB1 P23443 2/20 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
SCHEMBL13185392 0.89 MMP13 (0.39) MAPK1GRM4MMP13AURKARPS6KB1
SCHEMBL10162777 0.89 MAPK1 (0.45) MAPK1GRM4HDAC3HDAC1HDAC2
SCHEMBL10162594 0.88 GRM4 (0.48) MAPK1GRM4HDAC3HDAC1HDAC2
SCHEMBL10166134 0.88 GRM4 (0.49) MAPK1GRM4HDAC3HDAC1HDAC2
SCHEMBL14470127 0.88 MMP13 (0.38) MAPK1GRM4MMP13AURKARPS6KB1
SCHEMBL10162743 0.88 GRM4 (0.47) MAPK1GRM4HDAC3HDAC1HDAC2
SCHEMBL10168179 0.87 GRM4 (0.46) MAPK1GRM4HDAC3HDAC1HDAC2
SCHEMBL10162788 0.87 GRM4 (0.51) MAPK1GRM4HDAC3HDAC1HDAC2
SCHEMBL13593902 0.87 GRM4 (0.45) MAPK1GRM4HDAC3HDAC1HDAC2
SCHEMBL10162741 0.87 GRM4 (0.46) MAPK1GRM4HDAC3HDAC1HDAC2

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 MAPK1 2860/4885GRM4 4373/4885HDAC3 80/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MAPK1 2860/4885GRM4 4373/4885HDAC3 80/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MAPK1 2860/4885GRM4 4373/4885HDAC3 80/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MAPK1 2860/4885GRM4 4373/4885HDAC3 80/4885

“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.