SCHEMBL3247563

SCHEMBL3247563

CN(c1cc(-c2ccnc3c(C(=O)c4cccs4)cnn23)ccc1Cl)S(C)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.53
TLR8 Q9NR97 1/20 0.41
BRAF P15056 7/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAP2K1 Q02750 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
GSK3A P49840 2/20 0.36
EPHA2 P29317 1/20 0.36
PIM1 P11309 3/20 0.35
LIMK1 P53667 2/20 0.35
MAPK13 O15264 2/20 0.35
MARK2 Q7KZI7 1/20 0.34
AKT1 P31749 1/20 0.34
PIM3 Q86V86 1/20 0.34

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
SCHEMBL3243650 0.90 CDKN1A (0.53) CDKN1ATLR8BRAFKDM4EALDH1A1
SCHEMBL3241433 0.88 CDKN1A (0.54) CDKN1ATLR8BRAFKDM4EALDH1A1
SCHEMBL1874348 0.85 CDKN1A (0.59) CDKN1ATLR8BRAFKDM4EALDH1A1
SCHEMBL5812540 0.82 CDKN1A (0.59) CDKN1ATLR8BRAFKDM4EALDH1A1
SCHEMBL1877621 0.81 CDKN1A (0.54) CDKN1ATLR8BRAFKDM4EMAP2K1
SCHEMBL2107990 0.80 CDKN1A (0.55) CDKN1ATLR8BRAFKDM4EALDH1A1
SCHEMBL1877962 0.80 CDKN1A (0.55) CDKN1ATLR8BRAFKDM4EMAP2K1
SCHEMBL5809040 0.80 CDKN1A (0.56) CDKN1ATLR8BRAFKDM4EALDH1A1
Lorediplon SCHEMBL29376531 0.79 CDKN1A (0.54) CDKN1ATLR8BRAFKDM4EALDH1A1
Lorediplon SCHEMBL1316601 0.79 CDKN1A (0.54) CDKN1ATLR8BRAFKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530482-B2 Halogenated pyrazolo[1,5-A]pyrimidines, processes, uses, compositions and intermediates FERRER INTERNACIONAL, S.A. (ES) 2013-09-10 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
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 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-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 CDKN1A 1754/4885TLR8 4193/4885BRAF 439/4885
US-10072000-B2 Method of treating insomnia with halogenated pyrazolo[1,5-a]pyrimidines GABRA5, GABRA1, GABBR1 CDKN1A 1723/4885TLR8 4221/4885BRAF 859/4885
US-20130331610-A1 Halogenated Pyrazolo[1,5-A]Pyrimidines, Processes, Uses, Compositions and Intermediates GABRA5, GABRA1, RYR1 CDKN1A 1754/4885TLR8 4193/4885BRAF 439/4885
US-20160368912-A9 HALOGENATED PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES, COMPOSITIONS AND INTERMEDIATES GABRA5, GABRA1, RYR1 CDKN1A 1754/4885TLR8 4193/4885BRAF 439/4885
US-20090111848-A1 Halogenated Pyrazolo[1,5-A]Pyrimidines, Processes, Uses, Compositions and Intermediates GABRA5, GABRA1, RYR1 CDKN1A 1754/4885TLR8 4193/4885BRAF 439/4885

“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.