SCHEMBL5050002

SCHEMBL5050002

CC(C)(CO)NS(=O)(=O)c1cccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(Cl)cc4)nc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 3/20 0.51
TSHR P16473 5/20 0.50
HSD17B10 Q99714 5/20 0.50
MAPK1 P28482 3/20 0.50
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
USP2 O75604 1/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 10/20 0.47
ALDH1A1 P00352 6/20 0.47
POLB P06746 4/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 5/20 0.46
CASP1 P29466 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.45
KMT2A Q03164 1/20 0.45
NR4A1 P22736 1/20 0.45
CASP7 P55210 3/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL5036356 0.93 KIF18A (0.54) KIF18ATSHRHSD17B10MAPK1MAPT
SCHEMBL5040794 0.93 THRB (0.47) KIF18ATSHRHSD17B10MAPK1MAPT
SCHEMBL5045037 0.91 THRB (0.46) KIF18ATSHRHSD17B10MAPK1MAPT
SCHEMBL5041180 0.91 KDM4E (0.48) KIF18ATSHRHSD17B10MAPK1MAPT
SCHEMBL5044931 0.90 KIF18A (0.52) KIF18AHSD17B10MAPK1MAPTKDM4E
SCHEMBL5046611 0.90 MAPK1 (0.58) KIF18AHSD17B10MAPK1MAPTNPSR1
SCHEMBL5048835 0.89 THRB (0.47) KIF18ATSHRHSD17B10MAPK1MAPT
SCHEMBL5047644 0.89 THRB (0.47) KIF18ATSHRHSD17B10MAPK1MAPT
SCHEMBL5048260 0.89 KIF18A (0.51) KIF18AMAPK1MAPTKDM4EALDH1A1
SCHEMBL5041449 0.88 KIF18A (0.46) KIF18ATSHRHSD17B10MAPK1MAPT

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 KIF18A 2868/4885TSHR 412/4885HSD17B10 4257/4885

“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.