SCHEMBL6016903

SCHEMBL6016903

CN1CCC(N(C)c2nc(Nc3ccc(OCOP(=O)(O)OC(Cc4ccccc4)c4ccccc4)c(Cl)c3)nc(NC3CCCCCC3)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
IDH2 P48735 1/20 0.34
INSR P06213 1/20 0.34
ALK Q9UM73 1/20 0.34
BACE1 P56817 1/20 0.33
EHMT2 Q96KQ7 4/20 0.33
EHMT1 Q9H9B1 3/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
SLC2A1 P11166 1/20 0.32
AURKA O14965 1/20 0.32
ERBB2 P04626 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
AXL P30530 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 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
SCHEMBL4870097 0.86 BCL6 (0.42) BCL6IDH2INSRALKEHMT2
SCHEMBL5032238 0.86 JAK2 (0.40) BCL6JAK2JAK1IDH2INSR
SCHEMBL4837896 0.83 BCL6 (0.43) BCL6JAK2JAK1IDH2INSR
SCHEMBL5032189 0.81 BCL6 (0.47) BCL6IDH2INSRALKBACE1
SCHEMBL5032185 0.81 BCL6 (0.40) BCL6JAK2IDH2INSRALK
SCHEMBL5033386 0.80 SLC2A1 (0.32) ITGB1ITGA4SLC2A1
SCHEMBL4836250 0.80 BCL6 (0.46) BCL6IDH2INSRALKEHMT2
SCHEMBL14293962 0.79 BCL6 (0.39) BCL6JAK2IDH2INSRALK
SCHEMBL4840381 0.78 BCL6 (0.45) BCL6IDH2INSRALKBACE1
SCHEMBL4838644 0.78 IDH2 (0.40) BCL6IDH2EHMT2EHMT1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US claimed
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
US-20040224950-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-11 US claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 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 (1 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-20040224950-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS BCL6 2097/4885JAK2 114/4885JAK1 519/4885

“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.