SCHEMBL3822305

SCHEMBL3822305

COc1cc(N)c(C(=O)c2ccccc2Cl)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.56
LMNA P02545 2/20 0.52
MAPK14 Q16539 2/20 0.49
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
KMT2A Q03164 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HPGD P15428 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL3821131 0.88 LMNA (0.64) RECQLLMNAMAPK14MAPK13MAPK12
SCHEMBL3822798 0.87 RECQL (0.56) RECQLLMNAMAPK14MAPK13MAPK12
SCHEMBL3824758 0.84 RECQL (0.54) RECQLLMNAMAPK14MAPK13MAPK12
SCHEMBL3825882 0.84 LMNA (0.59) RECQLLMNAMAPK14MAPK13MAPK12
SCHEMBL3821668 0.83 RECQL (0.52) RECQLLMNAMAPK14MAPK13MAPK12
SCHEMBL5947421 0.83 LMNA (0.58) RECQLLMNAMAPK14MAPK13MAPK12
SCHEMBL3827653 0.81 RECQL (0.54) RECQLLMNAMAPK14MAPK13MAPK12
SCHEMBL3823928 0.81 LMNA (0.55) RECQLLMNAMAPK14MAPK13MAPK12
SCHEMBL3828536 0.80 LMNA (0.55) RECQLLMNAMAPK14MAPK13MAPK12
SCHEMBL3818809 0.80 LMNA (0.55) RECQLLMNAMAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524840-B2 7,8-disubstituted pyrazolobenzodiazepines HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
US-7524840-B2 7,8-disubstituted pyrazolobenzodiazepines HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
US-7524840-B2 7,8-disubstituted pyrazolobenzodiazepines HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
EP-1802625-B1 DISUBSTITUTED PYRAZOLOBENZODIAZEPINES USEFUL AS INHIBITORS FOR CDK2 AND ANGIOGESIS, AND FOR THE TREATMENT OF BREAST, COLON, LUNG AND PROSTATE CANCER HOFFMANN LA ROCHE (CH) 2008-06-18 EP disclosed
EP-1802625-A1 DISUBSTITUTED PYRAZOLOBENZODIAZEPINES USEFUL AS INHIBITORS FOR CDK2 AND ANGIOGESIS, AND FOR THE TREATMENT OF BREAST, COLON, LUNG AND PROSTATE CANCER F. Hoffmann-Roche AG (CH) 2007-07-04 EP disclosed
WO-2006040036-A1 DISUBSTITUTED PYRAZOLOBENZODIAZEPINES USEFUL AS INHIBITORS FOR CDK2 AND ANGIOGESIS, AND FOR THE TREATMENT OF BREAST, COLON, LUNG AND PROSTATE CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 WO disclosed
US-20060079511-A1 7,8-Disubstituted pyrazolobenzodiazepines LIU JIN-JUN 2006-04-13 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 (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-20060079511-A1 7,8-Disubstituted pyrazolobenzodiazepines CDK2, CDK1, CDK7 RECQL 1534/4885LMNA 3907/4885MAPK14 608/4885

“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.