SCHEMBL5554547

SCHEMBL5554547

CCC(Nc1nc(NC2CCCCCC2)nc(N(C#N)c2ccc(OC)c(Cl)c2)n1)C1CCCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
BCL6 P41182 1/20 0.36
TP53 P04637 2/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE5A O76074 2/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32

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
SCHEMBL5553445 0.91 MAPK1 (0.37) SMN1; SMN2BCL6LMNAKDM4EMAPT
SCHEMBL5553530 0.91 SMN1; SMN2 (0.33) SMN1; SMN2LMNAKDM4EMAPTMAPK1
SCHEMBL5553366 0.91 SMN1; SMN2 (0.33) SMN1; SMN2NPSR1LMNAKDM4EMAPT
SCHEMBL5554478 0.89 SMN1; SMN2 (0.38) SMN1; SMN2BCL6LMNAKDM4EMAPT
SCHEMBL5032200 0.83 BCL6 (0.50) SMN1; SMN2BCL6HTTNPSR1LMNA
SCHEMBL5549667 0.82 PDE5A (0.41) SMN1; SMN2BCL6PDE5ACTSSCTSK
SCHEMBL5553457 0.81 BCL6 (0.39) SMN1; SMN2BCL6HTTNPSR1LMNA
SCHEMBL5553448 0.81 APP (0.41) SMN1; SMN2BCL6NPSR1LMNATSHR
SCHEMBL5554463 0.80 MAPK1 (0.40) SMN1; SMN2BCL6LMNAKDM4EMAPT
SCHEMBL5550421 0.79 MAPK1 (0.39) SMN1; SMN2BCL6LMNAKDM4EMAPT

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 SMN1; SMN2 4238/4885BCL6 2670/4885TP53 3471/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS SMN1; SMN2 4172/4885BCL6 2097/4885TP53 3589/4885
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 SMN1; SMN2 4004/4885BCL6 2367/4885TP53 4415/4885

“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.