SCHEMBL4840101

SCHEMBL4840101

COc1ccc(Nc2nc(NCC3CCCCC3)nc(NCC3CCCO3)n2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 3/20 0.61
KCNH3 Q9ULD8 2/20 0.59
TNK2 Q07912 2/20 0.47
PAK4 O96013 1/20 0.47
PAK1 Q13153 1/20 0.47
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.45
HSD17B10 Q99714 3/20 0.44
MAPK1 P28482 2/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL4832671 0.91 KCNH3 (0.57) GALR1KCNH3TNK2PAK4PAK1
SCHEMBL6921463 0.90 KCNH3 (0.60) GALR1KCNH3TNK2PAK4PAK1
SCHEMBL14302462 0.85 TNK2 (0.64) GALR1KCNH3TNK2KDM4EHPGD
SCHEMBL4838923 0.85 GALR1 (0.67) GALR1SMN1; SMN2L3MBTL1GALR2
SCHEMBL4832453 0.85 GALR1 (0.67) GALR1SMN1; SMN2MAPTGALR2
SCHEMBL5431447 0.85 GALR1 (0.67) GALR1GALR2
SCHEMBL14537237 0.84 GALR1 (0.66) GALR1GALR2
SCHEMBL4836168 0.84 GALR1 (0.66) GALR1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL6233591 0.82 GALR1 (0.65) GALR1GALR2
SCHEMBL4838567 0.82 GALR1 (0.62) GALR1KCNH3GALR2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US claimed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US claimed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
US-20040209882-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US claimed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 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 (4 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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885KCNH3 4632/4885TNK2 1568/4885
US-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885KCNH3 4632/4885TNK2 1568/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885KCNH3 4559/4885TNK2 1944/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885KCNH3 4632/4885TNK2 1568/4885

“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.