SCHEMBL16102428

SCHEMBL16102428

Brc1cccc(Cn2nccn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.59
CYP11B1 P15538 1/20 0.56
ADRA2C P18825 1/20 0.56
CYP11B2 P19099 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
TAAR1 Q96RJ0 3/20 0.46
XDH P47989 1/20 0.45
IDO1 P14902 3/20 0.44
AGXT P21549 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MBTD1 Q05BQ5 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
KCNN4 O15554 1/20 0.42
MAOB P27338 1/20 0.42
TDO2 P48775 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL16118204 0.79 CYP19A1 (0.50) CYP19A1CYP11B1ADRA2CCYP11B2IDO1
SCHEMBL7674614 0.78 CYP19A1 (0.59) CYP19A1CYP11B1ADRA2CCYP11B2SMN1; SMN2
SCHEMBL8802431 0.77 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL13036058 0.77 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2SMN1; SMN2TDP1
SCHEMBL16129781 0.77 HTT (0.59) CYP11B1ADRA2CCYP11B2SMN1; SMN2TDP1
SCHEMBL1582393 0.75 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2TAAR1IDO1
SCHEMBL6760656 0.74 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2IDO1MAPT
SCHEMBL16129815 0.73 CYP11B1 (0.65) CYP19A1CYP11B1ADRA2CCYP11B2SMN1; SMN2
SCHEMBL21721833 0.73 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2SMN1; SMN2TDP1
SCHEMBL15032887 0.73 CYP19A1 (0.53) CYP19A1TDP1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105189508-B Naphthenic base nitrile Pyrazolopyridine ketone as JANUS kinase inhibitor 默沙东公司 2018-11-23 CN disclosed
EP-2976340-B1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-13 EP disclosed
EP-2976340-B1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-13 EP disclosed
US-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-9725445-B2 Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 US disclosed
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 US disclosed
US-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 US disclosed
CN-105189508-A Cycloalkyl nitrile pyrazolo pyridones as JANUS kinase inhibitors MERCK SHARP & DOHME 2015-12-23 CN disclosed
WO-2014146246-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
WO-2014146246-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 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-20160280704-A1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CYP19A1 885/4885CYP11B1 387/4885ADRA2C 1995/4885

“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.