SCHEMBL12413646

SCHEMBL12413646

CNCCNC(=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.46
TSHR P16473 2/20 0.46
KMT2A Q03164 4/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
KISS1R Q969F8 1/20 0.39
MEN1 O00255 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.35
SPR P35270 1/20 0.35
ALDH1A2 O94788 1/20 0.34
ALDH2 P05091 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
SCHEMBL16384387 0.93 TSHR (0.41) USP2TSHRKMT2ACYP2C19CYP2D6
SCHEMBL12131751 0.89 USP2 (0.55) USP2TSHRKMT2ACYP2C19CYP2D6
SCHEMBL20346380 0.86 KMT2A (0.50) USP2TSHRKMT2ACYP2C19CYP2D6
SCHEMBL19961019 0.86 KMT2A (0.50) USP2TSHRKMT2ACYP2C19CYP2D6
SCHEMBL23567933 0.84 ALDH1A1 (0.50) KMT2ACYP2C19CYP2D6CYP2C9KISS1R
SCHEMBL16384401 0.84 ALDH1A1 (0.50) KMT2ACYP2C19CYP2D6CYP2C9KISS1R
SCHEMBL23696282 0.84 ALDH1A1 (0.50) KMT2ACYP2C19CYP2D6CYP2C9KISS1R
SCHEMBL23696684 0.82 CYP2D6 (0.40) USP2TSHRKMT2ACYP2C19CYP2D6
SCHEMBL22525946 0.82 ALDH1A2 (0.44) KMT2ACYP2C19CYP2D6CYP2C9KISS1R
SCHEMBL30393344 0.81 USP2 (0.43) USP2TSHRKMT2AKISS1RMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154303-A2 DYNAMIC-COVALENT HYDROGELS WITH GLUCOSE-SPECIFIC AND GLUCOSE-RESPONSIVE DIBORONATE CROSSLINKING UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-08-17 WO disclosed
WO-2023057814-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS VINCERX PHARMA GMBH (DE) 2023-04-13 WO disclosed
EP-4019518-A1 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2022-06-29 EP disclosed
EP-3432934-B1 PRODRUGS OF CYTOTOXIC AGENTS WITH ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma AG (DE) 2022-02-23 EP disclosed
US-11208405-B2 Pyrrole derivatives as PLK1 inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2021-12-28 US disclosed
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
US-20200247796-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2020-08-06 US disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 US disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
WO-2017162663-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 WO disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
EP-1323710-B1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-10 EP disclosed
US-7294457-B2 Direct binding assay for identifying inhibitors of HCV polymerase BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-11-13 US disclosed
US-7282327-B2 Nucleic acid labeling compounds AFFYMETRIX, INC. (US) 2007-10-16 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US 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 (6 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-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 USP2 666/4885TSHR 3601/4885KMT2A 560/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF USP2 2473/4885TSHR 3165/4885KMT2A 3435/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 USP2 666/4885TSHR 3601/4885KMT2A 560/4885
US-20200247796-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS PLK1, CDK1, AURKC USP2 3796/4885TSHR 509/4885KMT2A 2079/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 USP2 4518/4885TSHR 1418/4885KMT2A 3551/4885
US-11208405-B2 Pyrrole derivatives as PLK1 inhibitors PLK1, CDK1, AURKC USP2 3796/4885TSHR 509/4885KMT2A 2079/4885

“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.