SCHEMBL3820780

SCHEMBL3820780

CC(C)Oc1cc2c(cc1F)C(c1ccccc1Cl)=NCC(=S)N2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CHRM1 P11229 9/20 0.53
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
PDPK1 O15530 1/20 0.46
JAK2 O60674 1/20 0.46
PAK4 O96013 1/20 0.46
CHEK2 O96017 1/20 0.46
EGFR P00533 1/20 0.46
NTRK1 P04629 1/20 0.46
PRKCG P05129 1/20 0.46
INSR P06213 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CDK1 P06493 1/20 0.46
CSF1R P07333 1/20 0.46
LYN P07948 1/20 0.46
RET P07949 1/20 0.46

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
SCHEMBL3824448 0.92 ALOX12 (0.55) ALOX12SMN1; SMN2CHRM1PLK4CHEK1
SCHEMBL3824195 0.89 ALOX12 (0.62) ALOX12SMN1; SMN2CHRM1PLK4CHEK1
SCHEMBL3827572 0.86 ALOX12 (0.58) ALOX12SMN1; SMN2CHRM1PLK4CHEK1
SCHEMBL3825546 0.84 ALOX12 (0.70) ALOX12SMN1; SMN2CHRM1PLK4CHEK1
SCHEMBL3824454 0.83 ALOX12 (0.54) ALOX12SMN1; SMN2CHRM1PLK4CHEK1
SCHEMBL27796557 0.82 ADRA2A (0.44) ALOX12SMN1; SMN2PLK4CHEK1AURKA
SCHEMBL3824001 0.81 ALOX12 (0.62) ALOX12SMN1; SMN2CHRM1PLK4CHEK1
SCHEMBL14159725 0.80 ALOX12 (0.65) ALOX12SMN1; SMN2CHRM1PLK4CHEK1
SCHEMBL3820585 0.79 ALOX12 (0.63) ALOX12SMN1; SMN2CHRM1PLK4CHEK1
SCHEMBL3822096 0.79 ALOX12 (0.63) ALOX12SMN1; SMN2CHRM1PLK4CHEK1

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 ALOX12 4573/4885SMN1; SMN2 4537/4885CHRM1 1110/4885

“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.