SCHEMBL6031821

SCHEMBL6031821

O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)n3nccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.52
TP53 P04637 2/20 0.45
ALDH1A1 P00352 7/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
KDM4E B2RXH2 6/20 0.43
PSD A5PKW4 3/20 0.43
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 0.41
MAPK1 P28482 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCL1 Q07820 1/20 0.41
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL1348342 0.81 TP53 (0.51) TP53ALDH1A1MAPTMEN1KMT2A
SCHEMBL6030715 0.81 KDM4E (0.60) TP53ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL13778057 0.81 PDE10A (0.49) RAD51ALDH1A1MAPTMEN1CRHBP
SCHEMBL14827419 0.80 FUBP1 (0.56) RAD51TP53ALDH1A1MAPTKDM4E
SCHEMBL6031310 0.80 MAPT (0.64) RAD51TP53ALDH1A1MAPTKDM4E
SCHEMBL1348580 0.80 TP53 (0.64) TP53ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL31560190 0.80 PTGS2 (0.51) TP53ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6031855 0.80 TP53 (0.52) TP53ALDH1A1MAPTMEN1KMT2A
SCHEMBL31560196 0.80 TP53 (0.68) TP53ALDH1A1MAPTMEN1KMT2A
SCHEMBL6031420 0.77 HPGD (0.67) TP53ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 RAD51 4390/4885TP53 4683/4885ALDH1A1 2830/4885

“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.