SCHEMBL2107976

SCHEMBL2107976

CN(C)C=CC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
ALDH1A1 P00352 10/20 0.55
HPGD P15428 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
ALOX12 P18054 1/20 0.54
HTT P42858 3/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 6/20 0.47
RECQL P46063 2/20 0.47
NPC1 O15118 3/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 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
SCHEMBL2107975 1.00 MAPT (0.55) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL2106813 0.84 CYP1A2 (0.54) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL2106816 0.84 CYP1A2 (0.54) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL2107790 0.81 MAPT (0.58) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL2107792 0.81 MAPT (0.58) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL8837893 0.79 MAPT (0.67) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL8837891 0.79 MAPT (0.67) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL23610389 0.76 MAPT (0.62) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL30714430 0.76 MAPT (0.62) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL1878680 0.75 MAPT (0.58) MAPTALDH1A1HPGDCYP1A2CYP2C19

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130331610-A1 Halogenated Pyrazolo[1,5-A]Pyrimidines, Processes, Uses, Compositions and Intermediates FERRER INTERNACIONAL, S.A. (ES) 2013-12-12 US claimed
EP-1899343-B1 HALOGENATED PYRAZOLO [1,5-A]PYRIMIDINES, PROCESSES, USES AS GABA-A RECEPTORS LIGAND, COMPOSITIONS AND INTERMEDIATES FERRER INT (ES) 2010-05-12 EP claimed
US-20090111848-A1 Halogenated Pyrazolo[1,5-A]Pyrimidines, Processes, Uses, Compositions and Intermediates FERRER INTERNACIONAL, S.A. (ES) 2009-04-30 US claimed
EP-1899343-A1 HALOGENATED PYRAZOLO [1,5-A]PYRIMIDINES, PROCESSES, USES AS GABA-A RECEPTORS LIGAND, COMPOSITIONS AND INTERMEDIATES Ferrer Internacional, S.A. (ES) 2008-03-19 EP claimed
WO-2006136530-A1 HALOGENATED PYRAZOLO [1,5-A]PYRIMIDINES, PROCESSES, USES AS GABA-A RECEPTORS LIGAND, COMPOSITIONS AND INTERMEDIATES FERRER INTERNACIONAL, S.A. (ES) 2006-12-28 WO claimed
EP-1736475-A1 Halogenated pyrazolo[1,5-a]pyrimidines, processes, uses, compositions and intermediates FERRER INTERNACIONAL, S.A. (ES) 2006-12-27 EP claimed
US-10072000-B2 Method of treating insomnia with halogenated pyrazolo[1,5-a]pyrimidines FERRER INTERNACIONAL, S.A. (ES) 2018-09-11 US disclosed
US-20160368912-A9 HALOGENATED PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES, COMPOSITIONS AND INTERMEDIATES FERRER INTERNACTIONAL, S.A. (ES) 2016-12-22 US disclosed
US-20130331610-A1 Halogenated Pyrazolo[1,5-A]Pyrimidines, Processes, Uses, Compositions and Intermediates FERRER INTERNACIONAL, S.A. (ES) 2013-12-12 US disclosed
US-20130331401-A1 Halogenated Pyrazolo[1,5-A]Pyrimidines, Processes, Uses, Compositions and Intermediates FERRER INTERNACTIONAL, S.A. (ES) 2013-12-12 US disclosed
US-8530482-B2 Halogenated pyrazolo[1,5-A]pyrimidines, processes, uses, compositions and intermediates FERRER INTERNACIONAL, S.A. (ES) 2013-09-10 US disclosed
US-8158632-B2 Pyrazolo[1,5-a]pyrimidines, processes, uses and compositions FERRER INTERNACIONAL, S.A. (ES) 2012-04-17 US disclosed
EP-2059521-B1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INT (ES) 2010-06-02 EP disclosed
EP-2059521-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS Ferrer Internacional, S.A. (ES) 2009-05-20 EP disclosed
US-20090111848-A1 Halogenated Pyrazolo[1,5-A]Pyrimidines, Processes, Uses, Compositions and Intermediates FERRER INTERNACIONAL, S.A. (ES) 2009-04-30 US disclosed
EP-1899343-A1 HALOGENATED PYRAZOLO [1,5-A]PYRIMIDINES, PROCESSES, USES AS GABA-A RECEPTORS LIGAND, COMPOSITIONS AND INTERMEDIATES Ferrer Internacional, S.A. (ES) 2008-03-19 EP disclosed
WO-2008015253-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INTERNACIONAL, S.A. (ES) 2008-02-07 WO disclosed
EP-1884516-A1 Pyrazolo[1,5-a]pyrimidines, processes, uses and compositions FERRER INTERNACIONAL, S.A. (ES) 2008-02-06 EP disclosed
WO-2006136530-A1 HALOGENATED PYRAZOLO [1,5-A]PYRIMIDINES, PROCESSES, USES AS GABA-A RECEPTORS LIGAND, COMPOSITIONS AND INTERMEDIATES FERRER INTERNACIONAL, S.A. (ES) 2006-12-28 WO disclosed
EP-1736475-A1 Halogenated pyrazolo[1,5-a]pyrimidines, processes, uses, compositions and intermediates FERRER INTERNACIONAL, S.A. (ES) 2006-12-27 EP 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 (5 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-20130331401-A1 Halogenated Pyrazolo[1,5-A]Pyrimidines, Processes, Uses, Compositions and Intermediates GABRA5, GABRA1, RYR1 MAPT 2417/4885ALDH1A1 684/4885HPGD 1521/4885
US-10072000-B2 Method of treating insomnia with halogenated pyrazolo[1,5-a]pyrimidines GABRA5, GABRA1, GABBR1 MAPT 2291/4885ALDH1A1 502/4885HPGD 1729/4885
US-20130331610-A1 Halogenated Pyrazolo[1,5-A]Pyrimidines, Processes, Uses, Compositions and Intermediates GABRA5, GABRA1, RYR1 MAPT 2417/4885ALDH1A1 684/4885HPGD 1521/4885
US-20160368912-A9 HALOGENATED PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES, COMPOSITIONS AND INTERMEDIATES GABRA5, GABRA1, RYR1 MAPT 2417/4885ALDH1A1 684/4885HPGD 1521/4885
US-20090111848-A1 Halogenated Pyrazolo[1,5-A]Pyrimidines, Processes, Uses, Compositions and Intermediates GABRA5, GABRA1, RYR1 MAPT 2417/4885ALDH1A1 684/4885HPGD 1521/4885

“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.