SCHEMBL3566677

SCHEMBL3566677

N#CCCNC(=O)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
JAK1 P23458 4/20 0.44
JAK2 O60674 2/20 0.44
TYK2 P29597 1/20 0.44
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
MAPT P10636 1/20 0.41
NAAA Q02083 1/20 0.41
HSD17B10 Q99714 3/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
EPHX1 P07099 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
JAK3 P52333 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL6183015 0.92 CTSB (0.50) KMT2AJAK1JAK2TYK2CTSL
SCHEMBL3456296 0.90 NAAA (0.53) KMT2AJAK1JAK2TYK2CTSL
SCHEMBL21806279 0.84 CHRNB2 (0.42) JAK1JAK2TYK2CTSLCTSB
SCHEMBL8247945 0.78
SCHEMBL29376213 0.78 SLC6A1 (0.46) KMT2AJAK1JAK2TYK2CTSL
SCHEMBL24027136 0.76 MAPT (0.37) KMT2AJAK1JAK2TYK2CTSL
SCHEMBL7456890 0.73 NAAA (0.51) KMT2ACTSLCTSBCTSKNAAA
SCHEMBL3961318 0.73 NAAA (0.51) KMT2ACTSLCTSBCTSKNAAA
SCHEMBL6410908 0.73 POLB (0.51) KMT2AHSD17B10SMN1; SMN2KDM4EALDH1A1
SCHEMBL6699822 0.73 CTSK (0.44) CTSLCTSBCTSKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105283452-B Tetrazolone derivatives 豪夫迈·罗氏有限公司 2019-01-04 CN claimed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP claimed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 EP claimed
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 EP claimed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US claimed
CN-105283452-A Novel tetrazolone derivatives HOFFMANN LA ROCHE 2016-01-27 CN claimed
US-9233964-B2 Sulfamide piperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use therof LEO PHARMA A/S (DK) 2016-01-12 US claimed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 WO claimed
US-20130345194-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-12-26 US claimed
EP-2661436-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-11-13 EP claimed
WO-2012093169-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-07-12 WO claimed
CN-114599653-A Indazoles as inhibitors of hematopoietic progenitor kinase 1(HPK1) and methods of use thereof 第一生物治疗股份有限公司 2022-06-07 CN disclosed
CN-105283452-B Tetrazolone derivatives 豪夫迈·罗氏有限公司 2019-01-04 CN disclosed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 EP disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 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 (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-20130345194-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS JAK1, CNKSR1, TSHR KMT2A 2194/4885JAK1 1/4885JAK2 8/4885
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES TBXA2R, CYP11B2, NR1I2 KMT2A 3178/4885JAK1 1869/4885JAK2 920/4885
US-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP KMT2A 1971/4885JAK1 1850/4885JAK2 892/4885

“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.