SCHEMBL5047644

SCHEMBL5047644

Cc1cc(-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 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
HSD17B10 Q99714 4/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 3/20 0.46
USP2 O75604 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 5/20 0.45
POLB P06746 3/20 0.45
KIF18A Q8NI77 3/20 0.45
NR4A1 P22736 1/20 0.43
HPGD P15428 3/20 0.43
CASP1 P29466 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP7 P55210 1/20 0.43
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL5048835 0.93 THRB (0.47) THRBHSD17B10MAPTTSHRMAPK1
SCHEMBL5045037 0.92 THRB (0.46) THRBHSD17B10MAPTTSHRMAPK1
SCHEMBL5049372 0.90 THRB (0.49) THRBHSD17B10MAPTTSHRMAPK1
SCHEMBL5036356 0.90 KIF18A (0.54) THRBHSD17B10MAPTTSHRMAPK1
SCHEMBL5046439 0.90 THRB (0.51) THRBHSD17B10MAPTTSHRMAPK1
SCHEMBL5040794 0.89 THRB (0.47) THRBHSD17B10MAPTTSHRMAPK1
SCHEMBL5050002 0.89 KIF18A (0.51) THRBHSD17B10MAPTTSHRMAPK1
SCHEMBL5041396 0.88 KDM4E (0.41) THRBHSD17B10MAPTTSHRNPSR1
SCHEMBL5048798 0.88 HSD17B10 (0.51) THRBHSD17B10MAPTTSHRMAPK1
SCHEMBL5048804 0.87 HSD17B10 (0.51) THRBHSD17B10MAPTTSHRMAPK1

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 1768/4885HSD17B10 4257/4885MAPT 844/4885

“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.