SCHEMBL4838906

SCHEMBL4838906

COc1ccc(Nc2nc(NCC3CCCCC3)nc(C(N)=O)n2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 4/20 0.61
ENO1 P06733 1/20 0.46
GALR2 O43603 3/20 0.42
CD38 P28907 1/20 0.41
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PI4KB Q9UBF8 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
JAK3 P52333 2/20 0.40
SYK P43405 1/20 0.40
VCP P55072 1/20 0.39

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
SCHEMBL4838923 0.87 GALR1 (0.67) GALR1ENO1GALR2CDK1CDK2
SCHEMBL5431447 0.87 GALR1 (0.67) GALR1ENO1GALR2CDK1CDK2
SCHEMBL4838397 0.87 GALR1 (0.61) GALR1ENO1GALR2CDK1CDK2
SCHEMBL4832453 0.85 GALR1 (0.67) GALR1ENO1GALR2PI4KB
SCHEMBL4836168 0.84 GALR1 (0.66) GALR1GALR2MEN1KMT2ANPSR1
SCHEMBL14537237 0.84 GALR1 (0.66) GALR1ENO1GALR2CDK1CDK2
SCHEMBL4836981 0.82 GALR1 (0.56) GALR1ENO1GALR2CDK1CDK2
SCHEMBL5032232 0.82 GALR1 (0.56) GALR1ENO1GALR2CDK1CDK2
SCHEMBL4836455 0.82 GALR1 (0.61) GALR1ENO1GALR2PI4KB
SCHEMBL6233591 0.82 GALR1 (0.65) GALR1GALR2CDK1CDK2PI4KB

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 13 patents. 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
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP 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
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed
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-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-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 961/4885ENO1 3493/4885GALR2 668/4885
US-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885ENO1 3493/4885GALR2 668/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885ENO1 4079/4885GALR2 712/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885ENO1 3493/4885GALR2 668/4885

“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.