SCHEMBL262246

SCHEMBL262246

CC(C)N1C2=C(C(=O)CCC2)C2(O)C(=O)c3ccccc3C12O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
MAPT P10636 5/20 0.51
TDP2 O95551 4/20 0.51
APAF1 O14727 2/20 0.51
SMAD3 P84022 1/20 0.51
CSNK2B P67870 2/20 0.36
CSNK2A1 P68400 2/20 0.36
CSNK2A2 P19784 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 1/20 0.34
NSD2 O96028 1/20 0.34
RECQL P46063 1/20 0.34
SAE1 Q9UBE0 1/20 0.34

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
SCHEMBL28953262 0.60 ALDH1A1 (0.54) ALDH1A1KDM4EHSP90AA1HSP90AB1KMT2A
SCHEMBL208765 0.57 ALDH1A1 (0.70) ALDH1A1MAPTTDP2APAF1L3MBTL1
SCHEMBL11587106 0.56 ALDH1A1 (0.67) ALDH1A1MAPTTDP2APAF1L3MBTL1
SCHEMBL21347391 0.56 ALDH1A1 (0.49) ALDH1A1MAPTTDP2APAF1L3MBTL1
Water SCHEMBL5338669 0.56 ALDH1A1 (0.67) ALDH1A1MAPTTDP2APAF1L3MBTL1
Water SCHEMBL11756268 0.56 ALDH1A1 (0.67) ALDH1A1MAPTTDP2APAF1L3MBTL1
SCHEMBL23707030 0.56 PGR (0.45) ALDH1A1KDM4EKMT2AMEN1RECQL
SCHEMBL21026093 0.55 L3MBTL1 (0.44) ALDH1A1MAPTTDP2APAF1L3MBTL1
SCHEMBL25698875 0.55 ALDH1A1 (0.53) ALDH1A1MAPTTDP2APAF1L3MBTL1
Methyl Alcohol SCHEMBL11482048 0.55 MAOA (0.88) ALDH1A1MAPTL3MBTL1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079691-B1 SUBSTITUTED INDENO[1,2-B]INDOLE DERIVATIVES AS NOVEL INHIBITORS OF PROTEIN KINASE CK2 AND THEIR USE AS TUMOUR THERAPEUTIC AGENTS, CYTOSTATICS AND DIAGNOSTIC AIDS UNIV DUESSELDORF H HEINE (DE) 2013-08-14 EP disclosed
US-8133913-B2 Substituted indeno [1,2-b]indole derivatives as novel inhibitors of protein kinase CK2 and their use as tumor therapeutic agents, cytostatics and diagnostic aids Heinrich-Heine Universitat Dusseldof (DE) 2012-03-13 US disclosed
US-20100056599-A1 SUBSTITUTED INDENO[1,2-B]INDOLE DERIVATIVES AS NOVEL INHIBITORS OF PROTEIN KINASE CK2 AND THEIR USE AS TUMOR THERAPEUTIC AGENTS, CYTOSTATICS AND DIAGNOSTIC AIDS HEINRICH-HEINE UNIVERSITAT DUSSELDORF (DE) 2010-03-04 US disclosed
EP-2079691-A1 SUBSTITUTED INDENO[1,2-B]INDOLE DERIVATIVES AS NOVEL INHIBITORS OF PROTEIN KINASE CK2 AND THEIR USE AS TUMOUR THERAPEUTIC AGENTS, CYTOSTATICS AND DIAGNOSTIC AIDS Heinrich-Heine-Universität Düsseldorf (DE) 2009-07-22 EP disclosed
WO-2008040547-A1 SUBSTITUTED INDENO[1,2-B]INDOLE DERIVATIVES AS NOVEL INHIBITORS OF PROTEIN KINASE CK2 AND THEIR USE AS TUMOUR THERAPEUTIC AGENTS, CYTOSTATICS AND DIAGNOSTIC AIDS HEINRICH-HEINE UNIVERSITÄT DÜSSELDORF (DE) 2008-04-10 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-20100056599-A1 SUBSTITUTED INDENO[1,2-B]INDOLE DERIVATIVES AS NOVEL INHIBITORS OF PROTEIN KINASE CK2 AND THEIR USE AS TUMOR THERAPEUTIC AGENTS, CYTOSTATICS AND DIAGNOSTIC AIDS CDK2, CSNK1A1, CDK1 ALDH1A1 3394/4885MAPT 2352/4885TDP2 1543/4885

“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.