SCHEMBL4592434

SCHEMBL4592434

COC(=O)c1c(-c2ccc(OC)cc2)c2cc(OC)c(OC)cc2n1CCCN(C)C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
MAPK8 P45983 4/20 0.42
RAD52 P43351 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
EDNRB P24530 4/20 0.39
EDNRA P25101 2/20 0.39
RXRA P19793 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HASPIN Q8TF76 1/20 0.38
DYRK1A Q13627 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL4592436 0.99 KMT2A (0.61) KMT2AMAPK8RAD52L3MBTL1PDE3B
SCHEMBL5157278 0.94 KMT2A (0.52) KMT2AMAPK8RAD52L3MBTL1PDE3B
Hydrochloric Acid SCHEMBL4880553 0.93 KMT2A (0.53) KMT2AMAPK8RAD52L3MBTL1PDE3B
SCHEMBL4592129 0.89 KMT2A (0.46) KMT2AMAPK8L3MBTL1PDE3BPDE3A
SCHEMBL5174825 0.86 MAPK8 (0.45) KMT2AMAPK8L3MBTL1PDE3BPDE3A
SCHEMBL5157621 0.86 MAPK8 (0.45) KMT2AMAPK8L3MBTL1PDE3BPDE3A
SCHEMBL4591041 0.85 MAPK8 (0.44) KMT2AMAPK8L3MBTL1PDE3BPDE3A
SCHEMBL4592507 0.85 MAPK8 (0.44) KMT2AMAPK8L3MBTL1PDE3BPDE3A
Hydrochloric Acid SCHEMBL4591042 0.84 MAPK8 (0.44) KMT2AMAPK8L3MBTL1PDE3BPDE3A
SCHEMBL4592550 0.84 KMT2A (0.50) KMT2AEDNRBEDNRAALDH1A1DYRK1A

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-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases BRANE DISCOVERY S.R.L (IT) 2008-09-18 US claimed
EP-1945305-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRANE DISCOVERY S.R.L. (IT) 2008-07-23 EP claimed
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 US claimed
WO-2007048847-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES NIKEM RESEARCH S.R.L. (IT) 2007-05-03 WO claimed
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases BRANE DISCOVERY S.R.L (IT) 2008-09-18 US disclosed
EP-1945305-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRANE DISCOVERY S.R.L. (IT) 2008-07-23 EP disclosed
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 US disclosed
WO-2007048847-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES NIKEM RESEARCH S.R.L. (IT) 2007-05-03 WO 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 (2 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 KMT2A 195/4885MAPK8 4076/4885RAD52 2515/4885
US-20080226718-A1 Indole and Azaindole Derivatives For the Treatment of Inflammatory and Autoimmune Diseases IDO1, IDO2, INMT KMT2A 1457/4885MAPK8 3281/4885RAD52 1077/4885

“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.