SCHEMBL4707644

SCHEMBL4707644

O=C(NS(=O)(=O)C(F)(F)F)c1cc2[nH]c(-c3ccco3)c(C3CCCCC3)c(=O)n2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
HPGD P15428 9/20 0.44
KDM4E B2RXH2 7/20 0.44
HSD17B10 Q99714 7/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 4/20 0.38
BLM P54132 1/20 0.38
CASP1 P29466 5/20 0.36
CASP7 P55210 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 2/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL4708363 0.85 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL14257687 0.84 HPGD (0.41) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL4708933 0.83 KDM4E (0.43) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL4709065 0.83 PLAT (0.44) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL14015123 0.78 HPGD (0.37) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL14015115 0.77 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL14038873 0.77 L3MBTL1 (0.40) ALDH1A1HPGDMEN1KMT2AALOX15
SCHEMBL14038865 0.75 PARP1 (0.38) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL14015116 0.75 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL4707958 0.74 KDM4E (0.38) ALDH1A1HPGDKDM4EHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
EP-1934225-A1 PYRAZOLO [1,5-A] PYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-06-25 EP disclosed
EP-1511751-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS NEOGENESIS PHARMACEUTICALS INC (US) 2008-03-19 EP disclosed
WO-2007044410-A1 PYRAZOLO [1,5-A] PYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 WO disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-20060094706-A1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION 2006-05-04 US disclosed
US-20040038993-A1 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents NEOGENESIS PHARMACEUTICALS, INC. 2004-02-26 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 (2 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-20040038993-A1 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents RNGTT, PNP, ZC3HAV1 ALDH1A1 482/4885HPGD 1836/4885KDM4E 642/4885
US-20060094706-A1 Pyrazolopyrimidines as protein kinase inhibitors CDKN1A, EIF2AK2, DCK ALDH1A1 1771/4885HPGD 3423/4885KDM4E 529/4885

“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.