SCHEMBL3945882

SCHEMBL3945882

CN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 1.00
SIRT1 Q96EB6 1/20 1.00
RPS6KB1 P23443 1/20 0.63
PRKCB P05771 5/20 0.62
PIM1 P11309 3/20 0.62
CDK4 P11802 3/20 0.62
CCND1 P24385 3/20 0.62
PRKACA P17612 3/20 0.62
PRKACG P22612 3/20 0.62
PRKACB P22694 3/20 0.62
CCNE2 O96020 2/20 0.62
CCNE1 P24864 2/20 0.62
CDK2 P24941 2/20 0.62
PRKCA P17252 2/20 0.62
PRKD3 O94806 1/20 0.62
CCNB2 O95067 1/20 0.62
ABL1 P00519 1/20 0.62
PRKCG P05129 1/20 0.62
CDK1 P06493 1/20 0.62
CCNB1 P14635 1/20 0.62

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
SCHEMBL30958473 1.00 SIRT2 (1.00) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL5343477 0.89 SIRT2 (0.80) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL5682604 0.89 SIRT2 (0.80) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL7504252 0.89 SIRT2 (0.80) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL8354590 0.87 SIRT2 (0.76) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL7195523 0.87 CCNT1 (0.81) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL5683235 0.87 SIRT2 (0.76) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL5682637 0.87 SIRT2 (0.76) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL8703825 0.86 SIRT2 (0.74) SIRT2SIRT1RPS6KB1PRKCBPIM1
SCHEMBL7825953 0.85 SIRT2 (0.72) SIRT2SIRT1RPS6KB1PRKCBPIM1

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478643-B Indoles [2,3-a] pyrroles [3,4-c] carbazole -5,7- diketone -6- virtue hydrazone compounds and preparation method thereof and the application in anticancer drug 河南师范大学 2018-07-10 CN claimed
CN-106432250-B Indoles [2,3-a] pyrroles [3,4-c] carbazole -5,7- diketone -6- (thiosemicarbazone) compounds with active anticancer and its preparation method and application 河南师范大学 2018-07-10 CN claimed
CN-104710412-B 3,4-bi(3-benzpyrole)-2,5-dione-1-pyrrole thiourea compound with antitumor activity and preparation method and application thereof 河南师范大学 2017-03-22 CN claimed
CN-106478643-A Fragrant hydrazone compounds of indole [2,3 a] pyrroles [3,4 c] carbazole 5,7 diketone 6 and preparation method thereof and the application in cancer therapy drug 河南师范大学 2017-03-08 CN claimed
CN-106432250-A Indole [2,3-a] pyrrole[3,4-c] carbazole-5,7-diketone-6-thiosemicarbazone compounds with antitumor activity as well as preparation method and application of compounds 河南师范大学 2017-02-22 CN claimed
CN-104496970-B 3,4-bi(3-indole)-2,5-dione-3-pyrrolineimine compound and preparation method and application of compound 河南师范大学 2017-01-11 CN claimed
CN-104710412-A 3,4-bi(3-benzpyrole)-2,5-dione-1-pyrroleimine thiourea compound with antitumor activity and preparation method and application thereof UNIV HENAN NORMAL 2015-06-17 CN claimed
CN-104496970-A 3,4-bi(3-indole)-2,5-dione-3-pyrrolineimine compound, preparation method of compound and application of compound in anti-cancer drug UNIV HENAN NORMAL 2015-04-08 CN claimed
US-20060099568-A1 Signals and molecular species involved in senescence SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2006-05-11 US claimed
US-6284783-B1 Use of bisindolylmaleimide compounds to induce Fas-mediated apoptosis THE UAB RESEARCH FOUNDATION 2001-09-04 US claimed
JP-7238044-A None JP disclosed
CN-106432250-B Indoles [2,3-a] pyrroles [3,4-c] carbazole -5,7- diketone -6- (thiosemicarbazone) compounds with active anticancer and its preparation method and application 河南师范大学 2018-07-10 CN disclosed
CN-106478643-B Indoles [2,3-a] pyrroles [3,4-c] carbazole -5,7- diketone -6- virtue hydrazone compounds and preparation method thereof and the application in anticancer drug 河南师范大学 2018-07-10 CN disclosed
US-20170216360-A1 METHODS AND COMPOSITIONS FOR IMPROVING HOMING OF CELLS INCLUDING MESENCHYMAL STEM CELLS THE GENERAL HOSPITAL CORPORATION 2017-08-03 US disclosed
US-20170216360-A1 METHODS AND COMPOSITIONS FOR IMPROVING HOMING OF CELLS INCLUDING MESENCHYMAL STEM CELLS THE GENERAL HOSPITAL CORPORATION 2017-08-03 US disclosed
EP-0657411-A1 Improved synthesis of bisindolylmaleimides ELI LILLY AND COMPANY (US) 1995-06-14 EP disclosed
EP-0630242-A1 FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP disclosed
EP-0630241-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP disclosed
WO-1993018766-A1 FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-30 WO disclosed
WO-1993018765-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-30 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-20170216360-A1 METHODS AND COMPOSITIONS FOR IMPROVING HOMING OF CELLS INCLUDING MESENCHYMAL STEM CELLS CXCL12, VCAM1, ICAM1 SIRT2 2858/4885SIRT1 1581/4885RPS6KB1 1801/4885

“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.