SCHEMBL2106816

SCHEMBL2106816

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
MAPT P10636 8/20 0.50
HPGD P15428 3/20 0.50
ALOX12 P18054 1/20 0.50
ALDH1A1 P00352 7/20 0.49
GAA P10253 3/20 0.49
HTT P42858 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 3/20 0.47
RECQL P46063 2/20 0.47
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 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
SCHEMBL2106813 1.00 CYP1A2 (0.54) CYP1A2CYP2C19MAPTHPGDALOX12
SCHEMBL2107976 0.84 MAPT (0.55) CYP1A2CYP2C19MAPTHPGDALOX12
SCHEMBL2107975 0.84 MAPT (0.55) CYP1A2CYP2C19MAPTHPGDALOX12
SCHEMBL3250517 0.81 CYP1A2 (0.45) CYP1A2CYP2C19MAPTHPGDALOX12
SCHEMBL3250520 0.81 CYP1A2 (0.45) CYP1A2CYP2C19MAPTHPGDALOX12
SCHEMBL1316220 0.81 CYP1A2 (0.56) CYP1A2CYP2C19MAPTHPGDALOX12
SCHEMBL1316217 0.81 CYP1A2 (0.56) CYP1A2CYP2C19MAPTHPGDALOX12
SCHEMBL3253845 0.80 KMT2A (0.45) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL2837468 0.79 CYP1A2 (0.67) CYP1A2CYP2C19MAPTHPGDALOX12
SCHEMBL15777509 0.79 CYP1A2 (0.67) CYP1A2CYP2C19MAPTHPGDALOX12

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-20130331401-A1 Halogenated Pyrazolo[1,5-A]Pyrimidines, Processes, Uses, Compositions and Intermediates FERRER INTERNACTIONAL, S.A. (ES) 2013-12-12 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-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 CYP1A2 18/4885CYP2C19 32/4885MAPT 2417/4885
US-10072000-B2 Method of treating insomnia with halogenated pyrazolo[1,5-a]pyrimidines GABRA5, GABRA1, GABBR1 CYP1A2 21/4885CYP2C19 39/4885MAPT 2291/4885
US-20130331610-A1 Halogenated Pyrazolo[1,5-A]Pyrimidines, Processes, Uses, Compositions and Intermediates GABRA5, GABRA1, RYR1 CYP1A2 18/4885CYP2C19 32/4885MAPT 2417/4885
US-20160368912-A9 HALOGENATED PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES, COMPOSITIONS AND INTERMEDIATES GABRA5, GABRA1, RYR1 CYP1A2 18/4885CYP2C19 32/4885MAPT 2417/4885
US-20090111848-A1 Halogenated Pyrazolo[1,5-A]Pyrimidines, Processes, Uses, Compositions and Intermediates GABRA5, GABRA1, RYR1 CYP1A2 18/4885CYP2C19 32/4885MAPT 2417/4885

“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.