SCHEMBL1880200

SCHEMBL1880200

COc1ccc(C(=O)c2cnn3c(-c4cccc(N(C)S(C)(=O)=O)c4)ccnc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
PIM1 P11309 3/20 0.49
MAPK13 O15264 2/20 0.49
DAPK3 O43293 1/20 0.47
AKT1 P31749 1/20 0.47
MAPK9 P45984 1/20 0.47
GSK3A P49840 1/20 0.47
NEK2 P51955 1/20 0.47
PIM3 Q86V86 1/20 0.47
PLK3 Q9H4B4 1/20 0.47
TLR8 Q9NR97 1/20 0.46
LIMK1 P53667 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
MAPK1 P28482 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
AOX1 Q06278 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
SCHEMBL1877781 0.91 KDM4E (0.52) KDM4EALDH1A1PIM1MAPK13DAPK3
SCHEMBL1883782 0.90 TLR8 (0.53) KDM4EPIM1MAPK13AKT1GSK3A
SCHEMBL1878134 0.90 TLR8 (0.50) KDM4EALDH1A1PIM1MAPK13DAPK3
SCHEMBL1879198 0.89 KDM4E (0.50) KDM4EPIM1MAPK13AKT1GSK3A
SCHEMBL1879312 0.89 TLR8 (0.49) KDM4EALDH1A1PIM1MAPK13AKT1
SCHEMBL1873926 0.89 KDM4E (0.51) KDM4EALDH1A1PIM1MAPK13DAPK3
SCHEMBL1876983 0.86 KDM4E (0.48) KDM4EALDH1A1PIM1MAPK13DAPK3
SCHEMBL1881246 0.85 KDM4E (0.51) KDM4EALDH1A1PIM1MAPK13DAPK3
SCHEMBL1876145 0.83 TLR8 (0.48) KDM4EALDH1A1PIM1MAPK13DAPK3
SCHEMBL1873543 0.82 KDM4E (0.47) KDM4EALDH1A1PIM1MAPK13DAPK3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947688-B2 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL, S.A. (ES) 2011-05-24 US claimed
EP-1648897-B1 N- [3-(3-SUBSTITUTED-PYRAZOLO[1,5-A] PYRIMIDIN-7-YL) PHENYL]-SULFONAMIDES, AND COMPOSITIONS, AND METHODS RELATED THERETO FERRER INT (ES) 2008-12-10 EP claimed
US-20060270690-A1 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL S.A. (ES) 2006-11-30 US claimed
EP-1648897-A1 N- [3-(3-SUBSTITUTED-PYRAZOLO[1,5-A] PYRIMIDIN-7-YL) PHENYL]-SULFONAMIDES, AND COMPOSITIONS, AND METHODS RELATED THERETO FERRER INTERNACIONAL, S.A. (ES) 2006-04-26 EP claimed
WO-2005014597-A1 N-[3-(3-SUBSTITUTED-PYRAZOLO[1,5-a]PYRIMIDIN-7-YL)PHENYL]-SULFONAMIDES, AND COMPOSITIONS, AND METHODS RELATED THERETO FERRER INTERNACIONAL, S.A. (ES) 2005-02-17 WO claimed
US-7947688-B2 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL, S.A. (ES) 2011-05-24 US disclosed
EP-1648897-B1 N- [3-(3-SUBSTITUTED-PYRAZOLO[1,5-A] PYRIMIDIN-7-YL) PHENYL]-SULFONAMIDES, AND COMPOSITIONS, AND METHODS RELATED THERETO FERRER INT (ES) 2008-12-10 EP disclosed
US-20060270690-A1 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL S.A. (ES) 2006-11-30 US disclosed
EP-1648897-A1 N- [3-(3-SUBSTITUTED-PYRAZOLO[1,5-A] PYRIMIDIN-7-YL) PHENYL]-SULFONAMIDES, AND COMPOSITIONS, AND METHODS RELATED THERETO FERRER INTERNACIONAL, S.A. (ES) 2006-04-26 EP disclosed
WO-2005014597-A1 N-[3-(3-SUBSTITUTED-PYRAZOLO[1,5-a]PYRIMIDIN-7-YL)PHENYL]-SULFONAMIDES, AND COMPOSITIONS, AND METHODS RELATED THERETO FERRER INTERNACIONAL, S.A. (ES) 2005-02-17 WO 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-20060270690-A1 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto GABRA2, GABRA1, GABRA3 KDM4E 3264/4885ALDH1A1 277/4885PIM1 2668/4885

“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.