SCHEMBL5072096

SCHEMBL5072096

O=S(=O)(CC(F)(F)F)N1CCc2c[nH]nc2C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
CNR1 P21554 1/20 0.32
MAPK1 P28482 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
KMT2A Q03164 4/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX2 P34913 1/20 0.31
MEN1 O00255 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5072632 0.84 MAPT (0.43) MAPTTSHRMAPK1KMT2ANPC1
SCHEMBL5070044 0.80 MAPT (0.54) MAPTTSHRMAPK1KMT2ANPC1
SCHEMBL5069905 0.77 TSHR (0.49) MAPTTSHRKMT2ARAB9AMEN1
SCHEMBL5067933 0.69 CD4 (0.52) KMT2AMEN1
SCHEMBL5069414 0.68 KMT2A (0.45) MAPK1ESR1ESR2KMT2ARAB9A
SCHEMBL3308588 0.66 EPHX2 (0.38) CNR1JAK2JAK1JAK3KMT2A
SCHEMBL31745765 0.65 HDAC6 (0.46) MAPTTSHRESR1ESR2EPHX2
SCHEMBL5135256 0.65 MAOA (0.44)
SCHEMBL19005656 0.65
SCHEMBL5136701 0.64 PNMT (0.41)

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-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7109340-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2006-09-19 US disclosed
US-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE AVENTIS PHARMA S.A. (FR) 2006-09-07 US disclosed
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2005-05-05 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 (2 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-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE BRD4, TP53, HCCS MAP3K5 673/4885MAPT 3423/4885TSHR 3329/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS MAP3K5 627/4885MAPT 2997/4885TSHR 3226/4885

“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.