SCHEMBL5049458

SCHEMBL5049458

Cc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(S(=O)(=O)NC5CC5)c4)c3n2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
HSD17B10 Q99714 6/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MAPK1 P28482 3/20 0.48
MAPT P10636 3/20 0.48
USP2 O75604 2/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CASP1 P29466 3/20 0.46
CASP7 P55210 3/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 7/20 0.45
HTT P42858 3/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45

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
SCHEMBL5041985 0.94 HSD17B10 (0.48) TSHRHSD17B10NPSR1MAPK1MAPT
SCHEMBL5045122 0.92 ALDH1A1 (0.48) TSHRHSD17B10NPSR1MAPK1MAPT
SCHEMBL5045812 0.90 HSD17B10 (0.49) TSHRHSD17B10NPSR1MAPK1MAPT
SCHEMBL5048268 0.88 HSD17B10 (0.52) TSHRHSD17B10NPSR1MAPK1MAPT
SCHEMBL5045949 0.88 APOB (0.51) TSHRHSD17B10NPSR1MAPK1MAPT
SCHEMBL5034989 0.88 ALDH1A1 (0.40) TSHRHSD17B10NPSR1MAPK1MAPT
SCHEMBL5045172 0.87 MAPK1 (0.55) TSHRHSD17B10NPSR1MAPK1MAPT
SCHEMBL5042015 0.86 MAPK1 (0.54) TSHRHSD17B10NPSR1MAPK1MAPT
SCHEMBL5048355 0.85 MAPK1 (0.65) TSHRHSD17B10NPSR1MAPK1MAPT
SCHEMBL5040836 0.84 THRB (0.51) TSHRHSD17B10NPSR1MAPK1MAPT

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 TSHR 412/4885HSD17B10 4257/4885NPSR1 178/4885

“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.