SCHEMBL257071

SCHEMBL257071

CCCN1CCNC(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL9029619 0.89 THRB (0.49) THRBSMN1; SMN2TOP2ATOP2BALDH1A1
SCHEMBL11669946 0.89 THRB (0.39) THRBSMN1; SMN2TOP2ATOP2BALDH1A1
SCHEMBL974631 0.87 THRB (0.51) THRB
Hydrochloric Acid SCHEMBL9029064 0.87 THRB (0.48) THRBALDH1A1L3MBTL1
SCHEMBL18634073 0.85 THRB (0.53) THRB
SCHEMBL683606 0.83
SCHEMBL5418816 0.82 SMN1; SMN2 (0.41) THRBSMN1; SMN2TOP2ATOP2BALDH1A1
SCHEMBL12348825 0.81 SMN1; SMN2 (0.41) THRBSMN1; SMN2TOP2ATOP2BALDH1A1
SCHEMBL23466536 0.80 THRB (0.44) THRBSMN1; SMN2TOP2ATOP2BTSHR
Propene SCHEMBL4084262 0.80 THRB (0.47) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-06-22 US disclosed
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-06-22 US disclosed
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
WO-2021219731-A2 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2021-11-04 WO disclosed
EP-3878451-A1 PHARMACEUTICAL COMPOSITION COMPRISING A JAK-INHIBITING 4,6-SUBSTITUTED-PYRAZOLO[1,5-A]PYRAZINE COMPOUND Array Biopharma Inc. (US) 2021-09-15 EP disclosed
WO-2021154662-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 WO disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
EP-3753939-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma Inc. (US) 2020-12-23 EP disclosed
US-10738026-B2 Isoquinoline derivatives and use thereof PURDUE PHARMA L.P. (US) 2020-08-11 US disclosed
US-10723719-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2020-07-28 US disclosed
WO-2013131018-A1 BIARYL INHIBITORS OF THE SODIUM CHANNEL ZALICUS PHARMACEUTICALS LTD. (US) 2013-09-06 WO disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US disclosed
US-8445690-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-05-21 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
US-8022059-B2 Indazole acrylic acid amide compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-20 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
US-20100256108-A1 INDAZOLE ACRYLIC ACID AMIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 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 (9 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-10738026-B2 Isoquinoline derivatives and use thereof KCNQ3, KCNQ5, KCNQ4 THRB 2857/4885SMN1; SMN2 577/4885TOP2A 2758/4885
US-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 THRB 547/4885SMN1; SMN2 4808/4885TOP2A 1574/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA THRB 1424/4885SMN1; SMN2 3221/4885TOP2A 2560/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA THRB 148/4885SMN1; SMN2 3467/4885TOP2A 685/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 THRB 2378/4885SMN1; SMN2 4299/4885TOP2A 970/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 THRB 1671/4885SMN1; SMN2 4086/4885TOP2A 85/4885
US-10723719-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 THRB 1880/4885SMN1; SMN2 4796/4885TOP2A 4716/4885
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF MITF, PRKDC, PRKACA THRB 1808/4885SMN1; SMN2 4471/4885TOP2A 2596/4885
US-20100256108-A1 INDAZOLE ACRYLIC ACID AMIDE COMPOUND KCNH2, KCNH3, KCNJ11 THRB 504/4885SMN1; SMN2 4807/4885TOP2A 4559/4885

“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.