SCHEMBL3824976

SCHEMBL3824976

Nc1cc(F)c(F)cc1C(=O)c1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.63
ALDH1A1 P00352 5/20 0.51
MAPT P10636 1/20 0.51
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
TP53 P04637 1/20 0.47
FADS1 O60427 1/20 0.46
RORB Q92753 4/20 0.45
RORC P51449 2/20 0.45
POLB P06746 3/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPK14 Q16539 2/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 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
SCHEMBL13758149 0.85 RECQL (0.54) RECQLALDH1A1MAPTCES2CES1
SCHEMBL3821668 0.84 RECQL (0.52) RECQLALDH1A1MAPTCES2CES1
SCHEMBL3823928 0.84 LMNA (0.55) RECQLALDH1A1MAPTCES2CES1
SCHEMBL11019993 0.81 RECQL (0.71) RECQLALDH1A1CES2CES1TP53
SCHEMBL14159770 0.81 RECQL (0.65) RECQLALDH1A1CES2CES1RORB
SCHEMBL4707059 0.80 RECQL (0.73) RECQLALDH1A1MAPTCES2CES1
SCHEMBL31272816 0.80 RECQL (0.73) RECQLALDH1A1MAPTCES2CES1
SCHEMBL2189708 0.80 ALDH1A1 (0.57) RECQLALDH1A1MAPTCES2CES1
SCHEMBL3820762 0.79 RECQL (0.63) RECQLALDH1A1CES2CES1TP53
SCHEMBL2704116 0.79 ALDH1A1 (0.59) RECQLALDH1A1MAPTCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101039946-B Disubstituted pyrazolobenzodiazepines useful as inhibitors for CDK2 and angiogenesis and for the treatment of breast, colon, lung and prostate cancer HOFFMANN LA ROCHE 2010-12-08 CN disclosed
CN-101899049-A Disubstituted pyrazole and benzodiazepines class HOFFMANN LA ROCHE 2010-12-01 CN 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
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
CN-101039946-A Disubstituted pyrazolobenzodiazepines * useful as inhibitors for CDK2 and angiogenesis and for the treatment of breast, colon, lung and prostate cancer HOFFMANN LA ROCHE (CH) 2007-09-19 CN 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 1534/4885ALDH1A1 2432/4885MAPT 3708/4885

“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.