SCHEMBL5031353

SCHEMBL5031353

CNc1nc(N)nc(NC2CCNCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.49
HRH3 Q9Y5N1 1/20 0.45
CTSL P07711 5/20 0.40
CTSB P07858 5/20 0.40
CTSS P25774 5/20 0.40
CTSK P43235 5/20 0.40
NUDT1 P36639 1/20 0.40
ADORA2A P29274 1/20 0.38
KCNH2 Q12809 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
IKBKB O14920 1/20 0.37
FLT3 P36888 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
KMT2A Q03164 1/20 0.36
IDH2 P48735 1/20 0.36

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
SCHEMBL4829384 0.88 HRH3 (0.51) HRH3CTSLCTSBCTSSCTSK
SCHEMBL11482610 0.88 PDE4A (0.56) PDE4ANUDT1HRH4KMT2A
Hydrochloric Acid SCHEMBL28609085 0.86 HRH3 (0.50) HRH3CTSLCTSBCTSSCTSK
SCHEMBL4837213 0.85 CTSS (0.48) PDE4AHRH3CTSLCTSBCTSS
SCHEMBL21959070 0.82 CTSL (0.49) PDE4AHRH3CTSLCTSBCTSS
SCHEMBL27628560 0.81 PDE4A (0.50) PDE4ANUDT1HRH4KMT2A
SCHEMBL3774476 0.81 PDE4A (0.46) PDE4ACTSLCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL21876067 0.80 CTSL (0.48) PDE4AHRH3CTSLCTSBCTSS
SCHEMBL6017006 0.79 HRH4 (0.48) PDE4ANUDT1HRH4IKBKBIDH2
SCHEMBL10706738 0.78 NUDT1 (0.43) PDE4ANUDT1HRH4

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-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7163943-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-16 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 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 (3 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 PDE4A 3011/4885HRH3 1023/4885CTSL 2846/4885
US-20050137196-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 PDE4A 3288/4885HRH3 478/4885CTSL 2784/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS PDE4A 3011/4885HRH3 1023/4885CTSL 2846/4885

“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.