SCHEMBL5550964

SCHEMBL5550964

CCC(Oc1nc(Oc2ccc(OC)c(F)c2)nc(OC2CCCCCC2)n1)C1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
PDE4A P27815 3/20 0.33
FPR2 P25090 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
PIK3CD O00329 1/20 0.33
MAPK1 P28482 2/20 0.33
GALR1 P47211 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 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
SCHEMBL4838304 0.87 MAPK1 (0.39) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL4829423 0.86 MEN1 (0.36) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL5550969 0.86 GALR1 (0.43) MEN1KMT2AMAPK1GALR1
SCHEMBL6209284 0.77 PDGFRB (0.39) KMT2APDE4AFPR2PROKR1PIK3CD
SCHEMBL4836323 0.76 FPR2 (0.45) PDE4AFPR2PROKR1PIK3CD
SCHEMBL4829514 0.74 GALR1 (0.43) MEN1KMT2AMAPK1GALR1
SCHEMBL4837059 0.74 MAPK1 (0.39) MEN1KMT2AMAPK1GALR1ALDH1A1
SCHEMBL6429669 0.73 MEN1 (0.34) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL5035814 0.73 GALR1 (0.44) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL5029058 0.73 GALR1 (0.53) MEN1KMT2AMAPK1GALR1

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 MEN1 4510/4885KMT2A 3506/4885SLC6A2 4597/4885
US-20040209880-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MEN1 4761/4885KMT2A 4102/4885SLC6A2 4796/4885

“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.