SCHEMBL5553533

SCHEMBL5553533

CCC(Nc1nc(Nc2ccc(O)c(F)c2)nc(NC2CCCCCC2)n1)C1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
CTSS P25774 4/20 0.38
CTSK P43235 4/20 0.38
S1PR1 P21453 1/20 0.37
RPS6KA6 Q9UK32 1/20 0.37
IDH2 P48735 1/20 0.36
CTSL P07711 2/20 0.36
CTSV O60911 1/20 0.36
PLAT P00750 1/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
CASP14 P31944 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
CASP6 P55212 1/20 0.36
CTSZ Q9UBR2 1/20 0.36

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
SCHEMBL6208596 0.91 RPS6KA6 (0.36) RAB9AS1PR1RPS6KA6IDH2
SCHEMBL5029060 0.90 RAB9A (0.41) RAB9ACTSSCTSKIDH2CTSL
SCHEMBL5553440 0.90 CTSS (0.40) RAB9ACTSSCTSKCTSLCTSV
SCHEMBL4838488 0.90 RAB9A (0.39) RAB9ACTSSCTSKIDH2CTSL
SCHEMBL5553462 0.89 IDH2 (0.41) RAB9ACTSSCTSKIDH2CTSL
SCHEMBL4832646 0.88 GALR1 (0.44) RAB9ACTSSCTSKCTSL
SCHEMBL6013841 0.88 GALR1 (0.44) RAB9ACTSSCTSKCTSL
SCHEMBL4829617 0.88 GALR1 (0.44) RAB9ACTSSCTSKCTSL
SCHEMBL6013788 0.88 GALR1 (0.44) RAB9ACTSSCTSKCTSL
SCHEMBL4838952 0.88 GALR1 (0.44) RAB9ACTSSCTSKCTSL

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.