SCHEMBL5553374

SCHEMBL5553374

CCOc1ccc(Nc2nc(NC3CCCCCC3)nc(NC(CC)C3CCCN3)n2)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
CTSL P07711 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCL6 P41182 1/20 0.35
GALR2 O43603 2/20 0.33
GALR1 P47211 2/20 0.33
IDH2 P48735 1/20 0.33
CTSV O60911 1/20 0.33
PLAT P00750 1/20 0.33
CTSH P09668 1/20 0.33
CASP14 P31944 1/20 0.33
CASP6 P55212 1/20 0.33
CTSZ Q9UBR2 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
SCHEMBL5553359 0.94 RAB9A (0.36) RAB9ACTSSCTSKCTSLNPSR1
SCHEMBL5553450 0.92 CTSS (0.40) RAB9ACTSSCTSKCTSLNPSR1
SCHEMBL5549818 0.91 CTSS (0.39) RAB9ACTSSCTSKCTSLNPSR1
SCHEMBL5553372 0.90 BCL6 (0.43) RAB9ACTSSCTSKCTSLNPSR1
SCHEMBL5550320 0.90 BCL6 (0.40) RAB9ACTSSCTSKCTSLNPSR1
SCHEMBL4838488 0.87 RAB9A (0.39) RAB9ACTSSCTSKCTSLNPSR1
SCHEMBL5553403 0.84 GALR1 (0.38) RAB9ACTSSCTSKCTSLNPSR1
SCHEMBL5553411 0.84 CTSS (0.38) RAB9ACTSSCTSKCTSLNPSR1
SCHEMBL5032200 0.84 BCL6 (0.50) RAB9ACTSSCTSKCTSLNPSR1
SCHEMBL6013841 0.84 GALR1 (0.44) RAB9ACTSSCTSKCTSLNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US claimed
US-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US claimed
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 US claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
US-20040209881-A1 e.g., N-Cycloheptyl-N'(1-ethyl-pyrrolidin-2-ylmethyl)-6-(3-fluoro-4-methoxy-phenoxy)-[1,3,5]triazine-2,4-diamine; treating unwanted cellular proliferation, an inflammation mediated disease, or a hyperproliferative disease, or modulating a glycosidase enzyme 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-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US disclosed
US-7265114-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-09-04 US disclosed
US-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US disclosed
US-20060172984-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-03 US disclosed
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 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 (3 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-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 RAB9A 4800/4885CTSS 2220/4885CTSK 2933/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS RAB9A 4709/4885CTSS 1860/4885CTSK 2714/4885
US-20040209881-A1 e.g., N-Cycloheptyl-N'(1-ethyl-pyrrolidin-2-ylmethyl)-6-(3-fluoro-4-methoxy-phenoxy)-[1,3,5]triazine-2,4-diamine; treating unwanted cellular proliferation, an inflammation mediated disease, or a hyperproliferative disease, or modulating a glycosidase enzyme ENGASE, LIPG, GPI RAB9A 4715/4885CTSS 748/4885CTSK 1354/4885

“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.