SCHEMBL5550424

SCHEMBL5550424

CCC(C1CCCN1)N(CC1CCNCC1)c1nc(N)nc(Oc2ccc(OC)c(F)c2)n1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AKT1 P31749 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL6429669 0.95 MEN1 (0.34) MEN1KMT2ASLC6A2SLC6A4
SCHEMBL6233350 0.83
SCHEMBL5549892 0.77 GALR1 (0.44)
SCHEMBL5550419 0.77 MAPT (0.33) MEN1KMT2ATLR9TLR8TLR7
SCHEMBL6818937 0.76 MAPK1 (0.37) MEN1KMT2ASLC6A2SLC6A4
SCHEMBL6612957 0.75 HTR2A (0.38) MEN1KMT2ATLR9TLR8TLR7
SCHEMBL4837131 0.72 GALR1 (0.38) MEN1KMT2AAKT1
SCHEMBL6209490 0.71 MAPK1 (0.31)
SCHEMBL6209493 0.70 TACR1 (0.32)
SCHEMBL6819099 0.70 GALR1 (0.40)

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 2 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-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 MEN1 4510/4885KMT2A 3506/4885AKT1 2473/4885

“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.