SCHEMBL5030706

SCHEMBL5030706

Nc1nc(N)nc(Nc2ccccc2OC(F)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
TSHR P16473 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TTK P33981 1/20 0.49
EPHX2 P34913 1/20 0.48
C1R P00736 1/20 0.47
MAPT P10636 3/20 0.45
AURKA O14965 1/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
MAPK1 P28482 1/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL3192934 0.79 EPHX2 (0.57) GBA1NPC1RAB9ATTKEPHX2
SCHEMBL4057926 0.77 EPHX2 (0.49) GBA1L3MBTL1RAB9ATTKEPHX2
SCHEMBL5030690 0.76 TSHR (0.57) L3MBTL1TSHRNPC1RAB9AEPHX2
SCHEMBL28736347 0.74 L3MBTL1 (0.67) L3MBTL1TSHRNPC1RAB9AMAPT
SCHEMBL22404952 0.74 IGF1R (0.49) GBA1TTKEPHX2C1RAURKA
SCHEMBL4376420 0.73 EPHX2 (0.51) GBA1L3MBTL1TSHREPHX2C1R
SCHEMBL2193785 0.73 EPHX2 (0.49) GBA1TTKEPHX2C1RMAPT
SCHEMBL22543002 0.72 EPHX2 (0.58) GBA1L3MBTL1EPHX2C1RAURKA
SCHEMBL30754743 0.72 EPHX2 (0.58) GBA1L3MBTL1EPHX2C1RAURKA
SCHEMBL29573342 0.72 GAA (0.49) GBA1L3MBTL1EPHX2C1RAURKA

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 6 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
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 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-20070004729-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GBA1 1562/4885L3MBTL1 4810/4885TSHR 2758/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 GBA1 2559/4885L3MBTL1 4589/4885TSHR 1630/4885

“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.