SCHEMBL5550480

SCHEMBL5550480

CN1CCC(Nc2nc(Nc3ccc(N)c(Cl)c3)nc(NC3CCCCCC3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.53
▸ IDH2 P48735 1/20 0.53
▸ BCL6 P41182 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ HTT P42858 3/20 0.46
▸ EGFR P00533 1/20 0.46
▸ ERBB2 P04626 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ CTSS P25774 2/20 0.45
▸ CTSK P43235 2/20 0.45
▸ CTSV O60911 1/20 0.45
▸ PLAT P00750 1/20 0.45

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
SCHEMBL5553670 0.89 IDH2 (0.46) RAB9AIDH2BCL6HRH4PTGS2
SCHEMBL4838910 0.87 RAB9A (0.53) RAB9AIDH2BCL6PTGS2HTT
SCHEMBL4838816 0.85 BCL6 (0.65) RAB9AIDH2BCL6HTTEGFR
SCHEMBL14421592 0.80 RAB9A (0.44) RAB9APTGS2HTTMEN1MAPT
SCHEMBL14268864 0.79 IDH2 (0.48) RAB9AIDH2BCL6PTGS2HTT
SCHEMBL4832154 0.78 BCL6 (0.51) RAB9AIDH2BCL6HTTEGFR
SCHEMBL14293973 0.78 RAB9A (0.46) RAB9AIDH2BCL6PTGS2HTT
SCHEMBL4832612 0.78 IDH2 (0.46) RAB9AIDH2BCL6PTGS2HTT
SCHEMBL5420312 0.78 IDH2 (0.48) RAB9AIDH2BCL6PTGS2HTT
SCHEMBL4837042 0.78 IDH2 (0.55) RAB9AIDH2BCL6HTTEGFR

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-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 — — 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 (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-20050137196-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 RAB9A 4800/4885IDH2 2530/4885BCL6 2670/4885

“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.

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