SCHEMBL3283065

SCHEMBL3283065

O=C(O)c1nn2cc(Br)cnc2c1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.60
POLB P06746 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.58
MAPT P10636 3/20 0.48
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
MAOB P27338 1/20 0.38
GAA P10253 1/20 0.37
APOBEC3A P31941 3/20 0.36
APOBEC3G Q9HC16 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TSHR P16473 2/20 0.35
ESR2 Q92731 2/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 4/20 0.34
HSD17B10 Q99714 2/20 0.34
HTT P42858 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
Benzylamine SCHEMBL1719444 0.85 POLB (0.51) TDP1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL23534535 0.84 TDP1 (0.51) TDP1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL17460374 0.84 TDP1 (0.45) TDP1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL4206864 0.78 TDP1 (0.57) TDP1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL1719219 0.76 POLB (0.65) TDP1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL4208982 0.76 ESR2 (0.59) TDP1POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL1718966 0.76 POLB (1.00) TDP1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL1718373 0.74 POLB (1.00) TDP1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL1719446 0.73 POLB (0.50) TDP1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL3712511 0.73 APOBEC3A (0.45) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700615-B2 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2010-04-20 US disclosed
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 EP disclosed
US-7098335-B2 Pyrazolopyrimidine compositions ICAGEN, INC. (US) 2006-08-29 US disclosed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 US disclosed
US-7012100-B1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2006-03-14 US disclosed
US-20050215569-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2005-09-29 US disclosed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 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
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 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 TDP1 2299/4885POLB 3025/4885SMN1; SMN2 697/4885
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC TDP1 4208/4885POLB 831/4885SMN1; SMN2 4264/4885

“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.