SCHEMBL1719145

SCHEMBL1719145

O=C(O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.80
ALDH1A1 P00352 5/20 0.80
HSD17B10 Q99714 5/20 0.80
TTR P02766 1/20 0.71
MAPT P10636 5/20 0.70
CASP1 P29466 2/20 0.67
MAPK1 P28482 2/20 0.67
TSHR P16473 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.63
APOBEC3A P31941 1/20 0.61
HTT P42858 1/20 0.61
HPGD P15428 3/20 0.60
CASP7 P55210 1/20 0.60
TP53 P04637 3/20 0.58

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
SCHEMBL3284626 0.89 KDM4E (1.00) KDM4EALDH1A1HSD17B10TTRMAPT
SCHEMBL3278525 0.89 KDM4E (1.00) KDM4EALDH1A1HSD17B10TTRMAPT
SCHEMBL6030712 0.88 KDM4E (0.80) KDM4EALDH1A1HSD17B10TTRMAPT
SCHEMBL1720125 0.88 KDM4E (0.80) KDM4EALDH1A1HSD17B10TTRMAPT
SCHEMBL1718125 0.85 MAPT (0.80) KDM4EALDH1A1HSD17B10MAPTCASP1
SCHEMBL1718174 0.85 ALDH1A1 (0.83) KDM4EALDH1A1HSD17B10TTRMAPT
SCHEMBL1718303 0.84 HPGD (0.82) KDM4EALDH1A1HSD17B10MAPTCASP1
SCHEMBL4201038 0.83 HPGD (0.81) KDM4EALDH1A1HSD17B10MAPTCASP1
SCHEMBL1719057 0.83 HPGD (0.81) KDM4EALDH1A1HSD17B10MAPTCASP1
SCHEMBL1718676 0.83 TTR (1.00) KDM4EALDH1A1HSD17B10TTRMAPT

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 2962/4885ALDH1A1 2830/4885HSD17B10 3989/4885
US-20030176450-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 KDM4E 2962/4885ALDH1A1 2830/4885HSD17B10 3989/4885

“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.