SCHEMBL5555490

SCHEMBL5555490

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.38
RAB9A P51151 1/20 0.35
GALR1 P47211 2/20 0.35
EGFR P00533 1/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
CTSL P07711 1/20 0.34
MAPK1 P28482 3/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IDH2 P48735 1/20 0.33
GALR2 O43603 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
SCHEMBL5550320 0.92 BCL6 (0.40) BCL6RAB9AGALR1EGFRCTSS
SCHEMBL5554551 0.91 BCL6 (0.39) BCL6RAB9AGALR1EGFRCTSS
SCHEMBL5549777 0.90 BCL6 (0.40) BCL6RAB9AGALR1EGFRCTSS
SCHEMBL6013788 0.90 GALR1 (0.44) BCL6RAB9AGALR1CTSSCTSK
SCHEMBL6013841 0.90 GALR1 (0.44) BCL6RAB9AGALR1CTSSCTSK
SCHEMBL4829617 0.90 GALR1 (0.44) BCL6RAB9AGALR1CTSSCTSK
SCHEMBL4832646 0.90 GALR1 (0.44) BCL6RAB9AGALR1CTSSCTSK
SCHEMBL4838952 0.90 GALR1 (0.44) BCL6RAB9AGALR1CTSSCTSK
SCHEMBL5031341 0.89 GALR1 (0.44) GALR1
Hydrochloric Acid SCHEMBL4838895 0.89 GALR1 (0.44) BCL6RAB9AGALR1CTSSCTSK

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 9 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
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 US 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
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 BCL6 2670/4885RAB9A 4800/4885GALR1 1159/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS BCL6 2097/4885RAB9A 4709/4885GALR1 961/4885
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 BCL6 2367/4885RAB9A 4715/4885GALR1 1435/4885

“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.