SCHEMBL5553458

SCHEMBL5553458

CCCC(CCC)Nc1nc(N)nc(NC2CCN(C)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.41
IDH2 P48735 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
KCNH2 Q12809 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
IKBKB O14920 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34

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
SCHEMBL4829461 0.80 HRH4 (0.52) HRH4IDH2IKBKBEHMT2EHMT1
SCHEMBL6017006 0.78 HRH4 (0.48) HRH4IDH2IKBKBEHMT2EHMT1
SCHEMBL6231272 0.75 KCNH2 (0.43) KCNH2TLR7
SCHEMBL27589550 0.75 HRH4 (0.50) HRH4IDH2IKBKBEHMT2EHMT1
SCHEMBL10706738 0.68 NUDT1 (0.43) HRH4
SCHEMBL1411334 0.67 KCNH2 (0.38) KCNH2TLR7
SCHEMBL11576770 0.67 TLR8 (0.41) KCNH2TLR7
Cyromazine SCHEMBL27231 0.65 NUDT1 (0.43) HRH4
Cyromazine SCHEMBL10832935 0.65 NUDT1 (0.43) HRH4
SCHEMBL11482610 0.64 PDE4A (0.56) HRH4

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-7265114-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-09-04 US disclosed
US-20060172984-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-03 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 (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-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS HRH4 607/4885IDH2 2587/4885HRH3 1023/4885

“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.