SCHEMBL5031329

SCHEMBL5031329

CCN1CCCC1Nc1nc(Nc2ccc(OCc3ccccc3)c(Cl)c2)nc(NC2CCCCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.43
RAB9A P51151 1/20 0.41
ERBB2 P04626 8/20 0.40
AURKA O14965 1/20 0.40
PTK6 Q13882 1/20 0.40
EGFR P00533 8/20 0.40
GRM4 Q14833 1/20 0.39
CTSV O60911 1/20 0.37
PLAT P00750 1/20 0.37
CTSL P07711 1/20 0.37
CTSH P09668 1/20 0.37
CTSS P25774 1/20 0.37
CASP14 P31944 1/20 0.37
CTSK P43235 1/20 0.37
CASP6 P55212 1/20 0.37
CTSZ Q9UBR2 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL5029054 0.89 KDM4E (0.41) BCL6RAB9AERBB2AURKAPTK6
SCHEMBL14600632 0.87 BCL6 (0.54) BCL6RAB9ACTSVPLATCTSL
SCHEMBL4832154 0.86 BCL6 (0.51) BCL6RAB9AERBB2AURKAPTK6
SCHEMBL5031413 0.85 RAB9A (0.54) BCL6RAB9AERBB2PTK6EGFR
SCHEMBL4837896 0.82 BCL6 (0.43) BCL6RAB9AERBB2AURKAPTK6
SCHEMBL14299807 0.80 KDM4E (0.41) RAB9ACTSSCTSKKDM4EALDH1A1
SCHEMBL4835601 0.79 BCL6 (0.44) BCL6RAB9AERBB2PTK6EGFR
SCHEMBL4837026 0.78 BCL6 (0.44) BCL6RAB9AKDM4EMEN1KMT2A
SCHEMBL5031382 0.77 BCL6 (0.40) BCL6RAB9AERBB2PTK6EGFR
SCHEMBL4838072 0.77 BCL6 (0.43) BCL6RAB9AKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
WO-2005103015-A1 TRIAZINE COMPOUNDS AND THEIR ANALOGS, COMPOSITIONS, AND METHODS REDDY US THERAPEUTICS, INC. (US) 2005-11-03 WO disclosed
US-20050227983-A1 Triazine compounds and their analogs, compositions, and methods DR. REDDY'S LABORATORIES LTD. (IN) 2005-10-13 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-20050227983-A1 Triazine compounds and their analogs, compositions, and methods MYLK, SMAD3, GID4 BCL6 541/4885RAB9A 3708/4885ERBB2 300/4885

“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.