SCHEMBL3818697

SCHEMBL3818697

COc1cc(N)c(C(=O)c2ccccc2OC)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
LMNA P02545 3/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MAPK14 Q16539 2/20 0.53
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
CTSD P07339 1/20 0.53
STS P08842 1/20 0.49
RORC P51449 2/20 0.48
RORB Q92753 2/20 0.48
CNR2 P34972 1/20 0.48
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
ALDH1A1 P00352 3/20 0.47
ADRA2B P18089 1/20 0.47
PTGS1 P23219 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 2/20 0.47

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
SCHEMBL2605631 0.89 KDM4E (0.71) KDM4ELMNAALOX15HSD17B10ALDH1A1
SCHEMBL10370235 0.86 ALDH1A1 (0.56) KDM4ELMNAALOX15HSD17B10MAPK14
SCHEMBL1340658 0.85 IDO1 (0.54) LMNAALOX15HSD17B10MAPK14MAPK13
SCHEMBL3821131 0.85 LMNA (0.64) KDM4ELMNAMAPK14MAPK13MAPK12
SCHEMBL5484401 0.85 KDM4E (0.54) KDM4ELMNAALOX15HSD17B10MAPK14
SCHEMBL29658169 0.85 CTSD (0.62) LMNAALOX15HSD17B10CTSDSTS
SCHEMBL322168 0.85 CTSD (0.62) LMNAALOX15HSD17B10CTSDSTS
SCHEMBL1340445 0.84 LMNA (0.52) LMNAALOX15HSD17B10MAPK14MAPK13
SCHEMBL1341206 0.84 LMNA (0.55) LMNAALOX15HSD17B10MAPK14MAPK13
SCHEMBL1340512 0.83 LMNA (0.55) LMNAALOX15HSD17B10MAPK14MAPK13

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 8 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-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 KDM4E 1495/4885LMNA 3907/4885ALOX15 4545/4885

“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.