SCHEMBL5554475

SCHEMBL5554475

CCC(Nc1nc(Nc2ccc(OC)c(Cl)c2)nc(OC2CCCCCC2)n1)C1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
BCL6 P41182 4/20 0.39
RECQL P46063 1/20 0.39
EPHB4 P54760 2/20 0.38
EPHA2 P29317 1/20 0.36
KDR P35968 1/20 0.36
MAPK1 P28482 1/20 0.35
SOS1 Q07889 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
METAP2 P50579 1/20 0.33
PIP4K2A P48426 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
SCHEMBL5554488 0.90 GALR1 (0.43) MAPTMEN1LMNAKMT2AGAA
SCHEMBL5032200 0.88 BCL6 (0.50) MAPTMEN1LMNAKMT2AGAA
SCHEMBL5445013 0.87 MAPT (0.45) MAPTMEN1LMNAKMT2AGAA
SCHEMBL5032213 0.87 GALR1 (0.43) MAPTMEN1LMNAKMT2AGAA
SCHEMBL5035753 0.84 GALR1 (0.37) MAPTMEN1LMNAKMT2AGAA
SCHEMBL5553372 0.81 BCL6 (0.43) MAPTMEN1LMNAKMT2ARAB9A
SCHEMBL4829592 0.81 MAPT (0.40) MAPTMEN1LMNAKMT2AGAA
SCHEMBL4838541 0.81 MAPT (0.40) MAPTMEN1LMNAKMT2AGAA
SCHEMBL4829530 0.81 MAPT (0.40) MAPTMEN1LMNAKMT2AGAA
SCHEMBL4832502 0.81 GALR1 (0.45) BCL6MAPK1SOS1

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-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US claimed
US-7163943-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-16 US claimed
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof NATIONAL BANK OF CANADA (CA) 2005-06-23 US claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
US-20040209880-A1 Methods and compositions of novel triazine compounds 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-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof NATIONAL BANK OF CANADA (CA) 2005-06-23 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 (2 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-20050137196-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 MAPT 3475/4885MEN1 4510/4885LMNA 3439/4885
US-20040209880-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MAPT 3539/4885MEN1 4761/4885LMNA 2238/4885

“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.