SCHEMBL5046439

SCHEMBL5046439

CCOc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(S(=O)(=O)NC(C)(C)CO)c4)c3n2)ccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
MAPT P10636 4/20 0.44
NR4A1 P22736 1/20 0.44
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KIF18A Q8NI77 3/20 0.44
HSD17B10 Q99714 4/20 0.43
TSHR P16473 4/20 0.43
HPGD P15428 3/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 1/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5049372 0.95 THRB (0.49) THRBMAPTNR4A1KDM4EKMT2A
SCHEMBL5041073 0.92 MAPT (0.53) THRBMAPTKDM4EKMT2AMEN1
SCHEMBL5044906 0.90 THRB (0.53) THRBMAPTNR4A1KDM4EKMT2A
SCHEMBL5032593 0.90 THRB (0.41) THRBMAPTKDM4EKMT2AMEN1
SCHEMBL5048835 0.90 THRB (0.47) THRBMAPTNR4A1KDM4EKMT2A
SCHEMBL5047644 0.90 THRB (0.47) THRBMAPTNR4A1KDM4EKMT2A
SCHEMBL5048289 0.90 THRB (0.55) THRBMAPTNR4A1KDM4EKMT2A
SCHEMBL5045037 0.89 THRB (0.46) THRBMAPTNR4A1KDM4EKMT2A
SCHEMBL5048278 0.89 THRB (0.54) THRBMAPTNR4A1KDM4EKMT2A
SCHEMBL5040836 0.88 THRB (0.51) THRBMAPTNR4A1KDM4EKMT2A

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-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US claimed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US claimed
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 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-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 THRB 1768/4885MAPT 844/4885NR4A1 1447/4885

“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.