SCHEMBL18909237

SCHEMBL18909237

CC(=O)N1CCC(N2CCNC(=O)C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
CDA P32320 1/20 0.40
PDE7A Q13946 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
PARP1 P09874 1/20 0.37
TSHR P16473 1/20 0.37
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL3 Q96JM7 3/20 0.34
EPHX2 P34913 2/20 0.34
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
EPHX1 P07099 1/20 0.34
MBTD1 Q05BQ5 1/20 0.34
TP53BP1 Q12888 1/20 0.34
L3MBTL4 Q8NA19 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
SCHEMBL22151854 0.81 IRAK4 (0.45) KMT2ACDAPDE7AIRAK4TSHR
SCHEMBL1902496 0.80 KDM4E (0.47) EPHX1
SCHEMBL13395701 0.80 IRAK4 (0.41) KMT2ACDAPDE7AIRAK4L3MBTL1
SCHEMBL897372 0.78 KMT2A (0.50) KMT2ACDAPDE7AIRAK4TOP2A
SCHEMBL6896207 0.78 KMT2A (0.46) KMT2ACDAPDE7AIRAK4L3MBTL1
SCHEMBL24521421 0.77 TOP2A (0.43) KMT2ACDAPDE7AIRAK4TSHR
SCHEMBL14441585 0.77 IRAK4 (0.44) KMT2ACDAPDE7AIRAK4TSHR
SCHEMBL23466508 0.77 CDA (0.47) KMT2ACDAPDE7AIRAK4TSHR
SCHEMBL12309944 0.76 KMT2A (0.49) KMT2ACDAIRAK4TOP2ATOP2B
SCHEMBL20808277 0.76 L3MBTL3 (0.45) L3MBTL1POLBTDP1L3MBTL3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 US disclosed
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 US disclosed
US-20220204517-A1 INHALED POWDER FORMULATIONS GENENTECH, INC. (US) 2022-06-30 US disclosed
EP-3596072-B1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-06-22 EP disclosed
EP-3416967-B1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-02-09 EP disclosed
US-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 US disclosed
US-20210009599-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-01-14 US disclosed
US-20200165260-A1 INHALED POWDER FORMULATIONS GENENTECH, INC. (US) 2020-05-28 US disclosed
EP-3380474-B1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF HOFFMANN LA ROCHE (CH) 2019-08-21 EP disclosed
WO-2017140825-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-08-24 WO disclosed
WO-2017089390-A1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-01 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 (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-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 KMT2A 1835/4885CDA 4170/4885PDE7A 907/4885
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 KMT2A 2305/4885CDA 4387/4885PDE7A 755/4885
US-20200165260-A1 INHALED POWDER FORMULATIONS JAK1, STAT5A, JAK2 KMT2A 947/4885CDA 4710/4885PDE7A 399/4885
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof JAK1, JAK2, JAK3 KMT2A 1835/4885CDA 4170/4885PDE7A 907/4885
US-20220204517-A1 INHALED POWDER FORMULATIONS JAK1, STAT5A, JAK2 KMT2A 947/4885CDA 4710/4885PDE7A 399/4885
US-20210009599-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 KMT2A 2305/4885CDA 4387/4885PDE7A 755/4885

“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.