SCHEMBL3249655

SCHEMBL3249655

CC(=O)Nc1cc(C(C)=O)ccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.73
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HDAC8 Q9BY41 5/20 0.50
▸ HDAC1 Q13547 4/20 0.49
▸ HDAC6 Q9UBN7 4/20 0.49
▸ EPHX1 P07099 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PYGL P06737 1/20 0.45

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
SCHEMBL1459456 0.87 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AHDAC8HDAC1
SCHEMBL10201340 0.85 CA1 (0.57) ALDH1A1MEN1KMT2AHDAC1HDAC6
SCHEMBL3791892 0.83 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AEPHX1MAPT
SCHEMBL27951759 0.81 MAPT (0.71) ALDH1A1MEN1KMT2AHDAC8HDAC1
SCHEMBL2388970 0.81 EPHX1 (0.70) ALDH1A1MEN1KMT2AEPHX1MAPT
SCHEMBL10632586 0.80 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHDAC8HDAC1
SCHEMBL10632577 0.80 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHDAC8HDAC1
SCHEMBL13100053 0.79 NPC1 (0.56) ALDH1A1MEN1KMT2AHDAC8HDAC1
SCHEMBL21678186 0.79 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AEPHX1MAPT
SCHEMBL30508348 0.79 NPC1 (0.56) ALDH1A1MEN1KMT2AHDAC8HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101243089-B Halopyrazolo [1,5-A ] pyrimidines, methods, uses as GABA-A receptor ligands, compositions and intermediate compounds FERRER INT 2011-07-06 — — CN 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
CN-101243089-A 3 Halopyrazolo 3 [ 3 1 3, 3 5 3- 3 A 3 ] 3 pyrimidines 3, 3 methods 3, 3 uses 3 as 3 GABA 3- 3 A 3 receptor 3 ligands 3, 3 compositions 3 and 3 intermediate 3 compounds 3 FERRER INT (ES) 2008-08-13 — — CN 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 ALDH1A1 684/4885MEN1 4216/4885KMT2A 843/4885
US-10072000-B2 Method of treating insomnia with halogenated pyrazolo[1,5-a]pyrimidines GABRA5, GABRA1, GABBR1 ALDH1A1 502/4885MEN1 4146/4885KMT2A 473/4885
US-20130331610-A1 Halogenated Pyrazolo[1,5-A]Pyrimidines, Processes, Uses, Compositions and Intermediates GABRA5, GABRA1, RYR1 ALDH1A1 684/4885MEN1 4216/4885KMT2A 843/4885
US-20160368912-A9 HALOGENATED PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES, COMPOSITIONS AND INTERMEDIATES GABRA5, GABRA1, RYR1 ALDH1A1 684/4885MEN1 4216/4885KMT2A 843/4885
US-20090111848-A1 Halogenated Pyrazolo[1,5-A]Pyrimidines, Processes, Uses, Compositions and Intermediates GABRA5, GABRA1, RYR1 ALDH1A1 684/4885MEN1 4216/4885KMT2A 843/4885

“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.

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