SCHEMBL5035814

SCHEMBL5035814

CCC(Nc1nc(NCC2CCCCC2)nc(Oc2ccc(OC)c(F)c2)n1)C1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.44
MAPK1 P28482 5/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PI4KB Q9UBF8 3/20 0.31
PTGS2 P35354 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL4837131 0.94 GALR1 (0.38) GALR1MAPK1KMT2AMEN1
SCHEMBL5029128 0.90 PKM (0.33) GALR1KMT2APKM
SCHEMBL4837059 0.89 MAPK1 (0.39) GALR1MAPK1KMT2AMEN1
SCHEMBL5031281 0.88 GALR1 (0.42) GALR1MAPK1HTR2CHTR2AHTR2B
SCHEMBL4837841 0.87 GALR1 (0.55) GALR1MAPK1PI4KB
SCHEMBL4829423 0.87 MEN1 (0.36) GALR1MAPK1KMT2AMEN1SLC6A2
SCHEMBL4836390 0.87 GALR1 (0.55) GALR1MAPK1PI4KB
SCHEMBL4839616 0.87 GALR1 (0.55) GALR1MAPK1PI4KB
SCHEMBL6013860 0.87 GALR1 (0.55) GALR1MAPK1PI4KB
SCHEMBL6013830 0.87 GALR1 (0.55) GALR1MAPK1PI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US claimed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US claimed
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
US-20040209882-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-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 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-20040209882-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885MAPK1 343/4885KMT2A 4102/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885MAPK1 370/4885KMT2A 3506/4885

“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.