SCHEMBL5159644

SCHEMBL5159644

COC(=O)c1c(-c2ccc(OC)cc2)c2cc(OC)c(OC)cc2n1CC#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
EDNRA P25101 4/20 0.41
EDNRB P24530 2/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
POLB P06746 1/20 0.39
MAOA P21397 2/20 0.38
DYRK1A Q13627 2/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
TP53 P04637 1/20 0.38
DYRK3 O43781 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK2 Q92630 1/20 0.38

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
SCHEMBL4592327 0.90 EDNRA (0.50) EDNRAEDNRBGRIA2GRIA4
SCHEMBL5157621 0.84 MAPK8 (0.45) MAPK8L3MBTL1EDNRAEDNRBPDE3B
SCHEMBL5162772 0.84 MAPK8 (0.45) MAPK8L3MBTL1EDNRAEDNRBPDE3B
SCHEMBL5161864 0.84 MAPK8 (0.47) MAPK8L3MBTL1EDNRAEDNRBPDE3B
SCHEMBL5174825 0.84 MAPK8 (0.45) MAPK8L3MBTL1EDNRAEDNRBPDE3B
SCHEMBL4591041 0.83 MAPK8 (0.44) MAPK8L3MBTL1EDNRAEDNRBPDE3B
SCHEMBL4592238 0.83 MAPK8 (0.44) MAPK8L3MBTL1EDNRAEDNRBPDE3B
SCHEMBL4592507 0.83 MAPK8 (0.44) MAPK8L3MBTL1EDNRAEDNRBPDE3B
SCHEMBL4600089 0.83 MAPK8 (0.44) MAPK8L3MBTL1EDNRAEDNRBPDE3B
Hydrochloric Acid SCHEMBL4591042 0.83 MAPK8 (0.44) MAPK8L3MBTL1EDNRAEDNRBPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 US disclosed
EP-1750687-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2007-02-14 EP disclosed
WO-2005105213-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2005-11-10 WO 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-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action IDO1, IDO2, INMT MAPK8 4076/4885L3MBTL1 2881/4885EDNRA 662/4885

“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.