SCHEMBL3530986

SCHEMBL3530986

Cc1c(C2CC2)c(=O)n(-c2ccc(F)cc2)n1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR7 P34969 1/20 0.44
HSD11B1 P28845 3/20 0.44
FPR2 P25090 1/20 0.42
GAA P10253 1/20 0.42
CCR3 P51677 1/20 0.40
ALOX15 P16050 2/20 0.40
BCHE P06276 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
NAPRT Q6XQN6 1/20 0.38

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
SCHEMBL3527433 0.85 HSD11B1 (0.41) MEN1KMT2AHTR7HSD11B1FPR2
SCHEMBL3525763 0.84 ALOX15 (0.57) MEN1KMT2AHTR7HSD11B1ALOX15
SCHEMBL3528744 0.81 HSD11B1 (0.43) MEN1KMT2AHTR7HSD11B1CCR3
SCHEMBL3528063 0.80 HSD11B1 (0.38) MEN1KMT2AHTR7HSD11B1FPR2
SCHEMBL3532268 0.78 CCR3 (0.41) MEN1KMT2AHTR7HSD11B1GAA
SCHEMBL14949021 0.77 KMT2A (0.54) MEN1KMT2AHTR7FPR2GAA
SCHEMBL3525631 0.77 SMURF1 (0.45) MEN1KMT2AHTR7HSD11B1CCR3
SCHEMBL3530750 0.76 MCHR1 (0.38) ALDH1A1
SCHEMBL3527822 0.75 MEN1 (0.37) MEN1KMT2AHTR7HSD11B1FPR2
SCHEMBL4318702 0.74 KMT2A (0.51) MEN1KMT2AHTR7FPR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 MEN1 1683/4885KMT2A 4086/4885HTR7 1546/4885

“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.