SCHEMBL6252844

SCHEMBL6252844

CCc1[nH]c2ccc(N)cc2c1C1=C(O)C(=O)C(c2c(CC)[nH]c3ccc(N)cc23)=C(O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
STK17B O94768 1/20 0.42
FLT3 P36888 1/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
NGFR P08138 1/20 0.40
PARP1 P09874 2/20 0.39
EGFR P00533 1/20 0.39
AR P10275 1/20 0.37
SIRT1 Q96EB6 1/20 0.36
HTR6 P50406 3/20 0.35
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
PDE10A Q9Y233 1/20 0.35
DAO P14920 1/20 0.34
DDO Q99489 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6259321 0.90 CDK5 (0.40) CDK5CDK5R1STK17BFLT3CA12
SCHEMBL6254247 0.84 CDK5 (0.38) CDK5CDK5R1STK17BFLT3CA12
SCHEMBL6256720 0.82 KDM4E (0.46) FLT3PARP1EGFRKDM4EALDH1A1
SCHEMBL6252288 0.80 NPEPPS (0.43) CDK5CDK5R1EGFRCDK1CDK2
SCHEMBL6256245 0.74 MEN1 (0.46) ARHTR6ALDH1A1TP53GAA
SCHEMBL6259342 0.72 KDM4E (0.49) FLT3PARP1SIRT1HTR6KDM4E
SCHEMBL6257929 0.69 KDM4E (0.50) CDK5CDK5R1STK17BFLT3CDK1
SCHEMBL6095875 0.68 XIAP (0.41) DAODDOKDM4ENPC1ALDH1A1
SCHEMBL9540712 0.68 SIRT1 (0.49) CA12CA9NGFRPARP1AR
SCHEMBL6255563 0.68 KDM4E (0.52) KDM4EALDH1A1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020016353-A1 Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions SUGEN INC. 2002-02-07 US claimed
US-6090838-A USING 2,5-BISINDOL-3-YL-1,4-QUINONE SUGEN, INC. (US) 2000-07-18 US claimed
EP-0959881-B1 SYNTHETIC METHODS FOR THE PREPARATION OF INDOLYLQUINONES AND MONO- AND BIS-INDOLYLQUINONES PREPARED THEREFROM SUGEN INC (US) 2005-09-21 EP disclosed
US-6750240-B2 FORMING 2,5-DIHYDROXY-3,6-DI(2-(3-METHYL-N-BUTYL)INDOL-3-YL)-1,4-QUINONE BY REACTING 2,3,5,6-TETRABROMO-1,4-BENZOQUINONE WITH 2-(3-METHYL-N-BUTYL)INDOLE IN PRESENCE OF CESIUM CARBONATE; ANTICANCER AGENTS SUGEN, INC. 2004-06-15 US disclosed
US-6660763-B2 Antiproliferative agents for disorders with GRB-2 adaptor protein function; treating diabetes, insulin resistance, insulin deficiency and insulin allergy SUGEN, INC. 2003-12-09 US disclosed
US-20030060635-A1 Methods of using bis-indolylquinones TANG PENG C (US) 2003-03-27 US disclosed
US-20020156116-A1 Bis-indolyquinone compounds TANG PENG CHO (US) 2002-10-24 US disclosed
EP-1218342-A2 MONO- AND BIS-INDOLYLQUINONES AND PROPHYLACTIC AND THERAPEUTIC USES THEREOF Sugen, Inc. (US) 2002-07-03 EP disclosed
US-6376529-B1 INSULIN DISEASES; ANTIDIABETIC AGENTS SUGEN, INC. 2002-04-23 US disclosed
US-20020016353-A1 Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions SUGEN INC. 2002-02-07 US disclosed
EP-0831809-A4 METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS SUGEN INC (US) 2001-11-28 EP disclosed
US-6239161-B1 2,5-DIHYDROXY-3,6-DI-(INDOL-3-YL)-QUINONE DERIVATIVES; ANTICARCINOGENIC AND ANTIPROLIFERATIVE AGENTS SUGEN, INC. 2001-05-29 US disclosed
WO-2001021589-A2 MONO- AND BIS-INDOLYLQUINONES AND PROPHYLACTIC AND THERAPEUTIC USES THEREOF SUGEN, INC. (US) 2001-03-29 WO disclosed
US-6110957-A ANTITUMOR AGENT TREATING CELL PROLIFERATIVE DISORDERS SUCH AS CANCER, DYES, FUNGICIDES, BACTERICIDES SUGEN, INC. (US) 2000-08-29 US disclosed
US-6090838-A USING 2,5-BISINDOL-3-YL-1,4-QUINONE SUGEN, INC. (US) 2000-07-18 US disclosed
US-5786488-A DEHYDROBROMINATION OF A DIBROMOBENZOQUINONES WITH AT LEAST ONE INDOLES IN A POLAR SOLVENT AND A METAL CARBONATE TO FORM AN ANTITUMOR AGENT SUGEN, INC. (US) 1998-07-28 US disclosed
US-5780496-A Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions SUGEN, INC. (US) 1998-07-14 US disclosed
EP-0831809-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS Sugen, Inc. (US) 1998-04-01 EP disclosed
WO-1996040115-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF ADAPTOR PROTEIN/TYROSINE KINASE INTERACTIONS SUGEN, INC. (US) 1996-12-19 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 (3 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-20020156116-A1 Bis-indolyquinone compounds IRS1, GRK2, GID4 CDK5 778/4885CDK5R1 600/4885STK17B 178/4885
US-20030060635-A1 Methods of using bis-indolylquinones IDO2, IDO1, IPO5 CDK5 1151/4885CDK5R1 1534/4885STK17B 2019/4885
US-20020016353-A1 Method and compositions for inhibition of adaptor protein/tyrosine kinase interactions GRB2, NCK1, ABL1 CDK5 307/4885CDK5R1 441/4885STK17B 525/4885

“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.