SCHEMBL4832841

SCHEMBL4832841

CCC(Nc1nc(NCC2CCCCC2)nc(Nc2ccc(OC)c(C(=O)O)c2)n1)C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.41
KDM4C Q9H3R0 2/20 0.36
METAP2 P50579 1/20 0.35
POLB P06746 1/20 0.35
ASPH Q12797 2/20 0.34
KDM8 Q8N371 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RIOX2 Q8IUF8 1/20 0.34
VCP P55072 2/20 0.34
PDE10A Q9Y233 1/20 0.34
ENO1 P06733 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
PTK2 Q05397 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4837147 0.89 SMN1; SMN2 (0.39) GALR1PTK2MEN1KMT2A
SCHEMBL5031325 0.89 GALR1 (0.43) GALR1METAP2POLBENO1CCNB2
SCHEMBL4839616 0.87 GALR1 (0.55) GALR1METAP2ENO1CDK1CCNB1
SCHEMBL6013860 0.87 GALR1 (0.55) GALR1METAP2ENO1CDK1CCNB1
SCHEMBL6013830 0.87 GALR1 (0.55) GALR1METAP2ENO1CDK1CCNB1
SCHEMBL4837841 0.87 GALR1 (0.55) GALR1METAP2ENO1CDK1CCNB1
SCHEMBL4836390 0.87 GALR1 (0.55) GALR1METAP2ENO1CDK1CCNB1
SCHEMBL5032213 0.87 GALR1 (0.43) GALR1METAP2MEN1KMT2A
SCHEMBL5036365 0.87 GALR1 (0.55) GALR1METAP2ENO1CDK1CCNB1
SCHEMBL5029188 0.86 GALR1 (0.53) GALR1METAP2ENO1CDK1CCNB1

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 14 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-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-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 961/4885KDM4C 2060/4885METAP2 1076/4885
US-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885KDM4C 2060/4885METAP2 1076/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885KDM4C 2275/4885METAP2 692/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885KDM4C 2060/4885METAP2 1076/4885

“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.