SCHEMBL5035753

SCHEMBL5035753

CCC(Nc1nc(NCC2CCCCC2)nc(Nc2ccc(OC3CC3)c(Cl)c2)n1)C1CCCN1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.37
P2RX3 P56373 12/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
SOS1 Q07889 3/20 0.35
RORC P51449 1/20 0.35
GAA P10253 1/20 0.32
BCL6 P41182 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
SCHEMBL5032213 0.92 GALR1 (0.43) GALR1P2RX3MAPTMEN1LMNA
SCHEMBL5033881 0.91 GALR1 (0.47) GALR1P2RX3SOS1
SCHEMBL4835457 0.89 GALR1 (0.38) GALR1P2RX3MAPTMEN1LMNA
SCHEMBL5550469 0.88 SOS1 (0.37) GALR1MEN1KMT2ASOS1GAA
SCHEMBL5036189 0.87 SOS1 (0.37) GALR1SOS1
SCHEMBL5031283 0.87 SOS1 (0.37) GALR1SOS1
SCHEMBL5031232 0.85 SOS1 (0.33) GALR1SOS1
SCHEMBL5035629 0.84 GALR1 (0.34) GALR1SOS1
SCHEMBL5554475 0.84 MAPT (0.46) MAPTMEN1LMNAKMT2ASOS1
SCHEMBL6013860 0.84 GALR1 (0.55) GALR1SOS1BCL6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US claimed
US-20040209882-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US claimed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 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 961/4885P2RX3 2424/4885MAPT 3539/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GALR1 1159/4885P2RX3 1189/4885MAPT 3475/4885

“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.