SCHEMBL1876378

SCHEMBL1876378

CCN(c1cccc(-c2ccnc3c(C#N)cnn23)c1)S(=O)(=O)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
GABRA1 P14867 3/20 0.68
GABRG2 P18507 3/20 0.68
GABRB3 P28472 3/20 0.68
GABRA2 P47869 3/20 0.68
MAPK1 P28482 2/20 0.68
GABRB2 P47870 1/20 0.68
AOX1 Q06278 1/20 0.68
PDE3A Q14432 1/20 0.68
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.47
MDM2 Q00987 1/20 0.43
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR8 Q9NR97 1/20 0.38
KDM4D Q6B0I6 1/20 0.37
CSNK2A1 P68400 1/20 0.35
NTRK1 P04629 1/20 0.33

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
SCHEMBL1882738 0.94 KDM4E (0.62) KDM4EGABRA1GABRG2GABRB3GABRA2
SCHEMBL1884350 0.92 KDM4E (0.60) KDM4EGABRA1GABRG2GABRB3GABRA2
SCHEMBL1871646 0.91 KDM4E (0.59) KDM4EGABRA1GABRG2GABRB3GABRA2
SCHEMBL1879199 0.90 KDM4E (0.70) KDM4EGABRA1GABRG2GABRB3GABRA2
SCHEMBL1876103 0.90 KDM4E (0.70) KDM4EGABRA1GABRG2GABRB3GABRA2
SCHEMBL1874687 0.89 KDM4E (0.62) KDM4EGABRA1GABRG2GABRB3GABRA2
SCHEMBL1878782 0.87 KDM4E (0.66) KDM4EGABRA1GABRG2GABRB3GABRA2
SCHEMBL1877361 0.86 KDM4E (0.66) KDM4EGABRA1GABRG2GABRB3GABRA2
SCHEMBL1871645 0.85 KDM4E (0.58) KDM4EGABRA1GABRG2GABRB3GABRA2
SCHEMBL1881248 0.84 KDM4E (0.64) KDM4EGABRA1GABRG2GABRB3GABRA2

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 8 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
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 3264/4885GABRA1 2/4885GABRG2 14/4885

“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.