SCHEMBL3282802

SCHEMBL3282802

O=C(O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.69
APOBEC3A P31941 1/20 0.68
CTDSP1 Q9GZU7 1/20 0.68
APOBEC3G Q9HC16 1/20 0.68
KDM4E B2RXH2 4/20 0.58
HSD17B10 Q99714 2/20 0.58
POLB P06746 1/20 0.58
USP2 O75604 1/20 0.56
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
TP53 P04637 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 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
SCHEMBL5658010 0.92 RXFP1 (0.59) RXFP1APOBEC3ACTDSP1APOBEC3GKDM4E
SCHEMBL3704786 0.91 RXFP1 (0.67) RXFP1APOBEC3ACTDSP1APOBEC3GKDM4E
SCHEMBL3060904 0.91 RXFP1 (0.67) RXFP1APOBEC3ACTDSP1APOBEC3GKDM4E
SCHEMBL1718047 0.88 RXFP1 (0.59) RXFP1APOBEC3ACTDSP1APOBEC3GKDM4E
SCHEMBL1720133 0.87 RXFP1 (0.71) RXFP1APOBEC3ACTDSP1APOBEC3GKDM4E
SCHEMBL1719430 0.86 RXFP1 (0.72) RXFP1APOBEC3ACTDSP1APOBEC3GKDM4E
SCHEMBL3278674 0.85 USP2 (0.70) RXFP1KDM4EHSD17B10USP2ALDH1A1
SCHEMBL1719685 0.85 RXFP1 (0.65) RXFP1APOBEC3ACTDSP1APOBEC3GKDM4E
SCHEMBL1719378 0.85 USP2 (0.64) RXFP1APOBEC3ACTDSP1APOBEC3GKDM4E
SCHEMBL1718538 0.85 RXFP1 (0.68) RXFP1APOBEC3ACTDSP1APOBEC3GKDM4E

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
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO claimed
WO-2010086040-A1 PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-08-05 WO disclosed
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-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
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 EP 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 (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-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC RXFP1 4834/4885APOBEC3A 3652/4885CTDSP1 3418/4885

“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.