SCHEMBL5046611

SCHEMBL5046611

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
KDM4E B2RXH2 5/20 0.57
TP53 P04637 3/20 0.57
POLB P06746 3/20 0.57
KMT2A Q03164 2/20 0.57
HTT P42858 2/20 0.57
THRB P10828 1/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 1/20 0.51
GBA1 P04062 1/20 0.51
KIF18A Q8NI77 1/20 0.51
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GLA P06280 1/20 0.49
CASP1 P29466 1/20 0.49

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
SCHEMBL5041991 0.92 MAPK1 (0.57) MAPK1KDM4ETP53POLBKMT2A
SCHEMBL5044931 0.90 KIF18A (0.52) MAPK1KDM4ETP53POLBKMT2A
SCHEMBL5050002 0.90 KIF18A (0.51) MAPK1KDM4ETP53POLBKMT2A
SCHEMBL5048260 0.89 KIF18A (0.51) MAPK1KDM4ETP53POLBKMT2A
SCHEMBL5039082 0.88 KDM4E (0.49) MAPK1KDM4ETP53POLBKMT2A
SCHEMBL5041480 0.87 KIF18A (0.50) MAPK1KDM4ETP53POLBKMT2A
SCHEMBL5044973 0.87 KIF18A (0.50) MAPK1KDM4ETP53POLBKMT2A
SCHEMBL5049985 0.86 MAPK1 (0.57) MAPK1KDM4ETP53POLBKMT2A
SCHEMBL5041958 0.85 MAPK1 (0.65) MAPK1KDM4ETP53POLBKMT2A
SCHEMBL5041073 0.85 MAPT (0.53) MAPK1KDM4ETP53POLBKMT2A

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 MAPK1 1732/4885KDM4E 3638/4885TP53 1281/4885

“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.