SCHEMBL1718787

SCHEMBL1718787

O=C(O)c1cc2nc(-c3ccccn3)cc(C(F)(F)F)n2n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.74
HSD17B10 Q99714 4/20 0.74
L3MBTL1 Q9Y468 1/20 0.70
ALDH1A1 P00352 7/20 0.64
APOBEC3A P31941 1/20 0.64
HTT P42858 1/20 0.64
TTR P02766 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
CASP1 P29466 3/20 0.57
MAPK1 P28482 3/20 0.57
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.57
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ESR2 Q92731 1/20 0.53
HPGD P15428 4/20 0.53
TP53 P04637 2/20 0.53
LMNA P02545 2/20 0.53
THRB P10828 1/20 0.52
USP2 O75604 1/20 0.51

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
Benzylamine SCHEMBL1719060 0.92 KDM4E (0.63) KDM4EHSD17B10L3MBTL1ALDH1A1APOBEC3A
SCHEMBL3278525 0.85 KDM4E (1.00) KDM4EHSD17B10ALDH1A1APOBEC3AHTT
SCHEMBL1718312 0.84 HPGD (0.60) KDM4EHSD17B10L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1719062 0.82 KDM4E (0.57) KDM4EHSD17B10L3MBTL1ALDH1A1APOBEC3A
SCHEMBL25337108 0.81 KDM4E (0.76) KDM4EHSD17B10L3MBTL1ALDH1A1HTT
SCHEMBL3284626 0.78 KDM4E (1.00) KDM4EHSD17B10ALDH1A1APOBEC3AHTT
SCHEMBL3278779 0.78 ALDH1A1 (0.81) KDM4EHSD17B10L3MBTL1ALDH1A1HTT
SCHEMBL3277995 0.78 KDM4E (1.00) KDM4EHSD17B10L3MBTL1ALDH1A1APOBEC3A
SCHEMBL1719145 0.77 KDM4E (0.80) KDM4EHSD17B10ALDH1A1APOBEC3AHTT
SCHEMBL6030712 0.77 KDM4E (0.80) KDM4EHSD17B10ALDH1A1APOBEC3AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed
EP-1506196-A4 PYRAZOLOPYRIMIDINES ICAGEN INC (US) 2008-01-02 EP disclosed
US-7098335-B2 Pyrazolopyrimidine compositions ICAGEN, INC. (US) 2006-08-29 US disclosed
US-20050215569-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2005-09-29 US disclosed
EP-1506196-A2 PYRAZOLOPYRIMIDINES Icagen, Inc. (US) 2005-02-16 EP disclosed
US-6833371-B2 Contacting cell with a sodium channel-inhibiting amount of a compound comprising a pyrazolopyrimidine moiety for decreasing ion flow through a voltage-dependent sodium channel in a cell ICAGEN, INC. 2004-12-21 US disclosed
US-20030176450-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2003-09-18 US disclosed
WO-2003037900-A2 PYRAZOLOPYRIMIDINES ICAGEN, INC. (US) 2003-05-08 WO 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-20050215569-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 KDM4E 2962/4885HSD17B10 3989/4885L3MBTL1 4822/4885
US-20030176450-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 KDM4E 2962/4885HSD17B10 3989/4885L3MBTL1 4822/4885

“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.