SCHEMBL10168688

SCHEMBL10168688

CC(=O)c1ccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.46
MAPK1 P28482 5/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MMP13 P45452 1/20 0.39
PTGER4 P35408 1/20 0.39
ERBB2 P04626 2/20 0.38
EGFR P00533 1/20 0.38
WDR5 P61964 4/20 0.38
AURKA O14965 3/20 0.38
RPS6KB1 P23443 3/20 0.38
AURKB Q96GD4 1/20 0.37

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
SCHEMBL10163615 0.92 GRM4 (0.47) GRM4MAPK1HDAC3HDAC1HDAC2
SCHEMBL13593902 0.91 GRM4 (0.45) GRM4MAPK1HDAC3HDAC1HDAC2
SCHEMBL10162798 0.91 GRM4 (0.46) GRM4MAPK1HDAC3HDAC1HDAC2
SCHEMBL10162594 0.91 GRM4 (0.48) GRM4MAPK1HDAC3HDAC1HDAC2
SCHEMBL10166134 0.91 GRM4 (0.49) GRM4MAPK1HDAC3HDAC1HDAC2
SCHEMBL10162599 0.90 MMP13 (0.51) MMP13WDR5AURKARPS6KB1AURKB
SCHEMBL10162788 0.90 GRM4 (0.51) GRM4MAPK1HDAC3HDAC1HDAC2
SCHEMBL10162741 0.90 GRM4 (0.46) GRM4MAPK1HDAC3HDAC1HDAC2
SCHEMBL8231104 0.89 GRM4 (0.50) GRM4MAPK1HDAC3HDAC1HDAC2
SCHEMBL10162825 0.89 MAPT (0.46) GRM4MAPK1ERBB2EGFRAURKA

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 GRM4 4373/4885MAPK1 2860/4885HDAC3 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.