SCHEMBL14268895

SCHEMBL14268895

CCN1CCCC1CNc1nc(Nc2ccccc2)nc(NC2CCCCCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KCNH3 Q9ULD8 2/20 0.45
▸ NPY5R Q15761 1/20 0.45
▸ ADORA3 P0DMS8 2/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43

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
SCHEMBL4840315 0.94 ACHE (0.49) ACHERAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4837746 0.92 MCHR1 (0.49) ACHERAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4838626 0.91 RAB9A (0.57) RAB9ASMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL4832892 0.90 HTR2C (0.48) RAB9ASMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL4836468 0.90 RAB9A (0.46) ACHERAB9ASMN1; SMN2ALDH1A1CTSS
SCHEMBL14268811 0.90 RAB9A (0.46) ACHERAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6856822 0.90 CTSS (0.44) ACHERAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4832652 0.90 RAB9A (0.51) RAB9ASMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL4829443 0.89 CTSS (0.46) RAB9ASMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL4838919 0.89 PIM1 (0.46) ACHERAB9ASMN1; SMN2KDM4EALDH1A1

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-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 — — US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 — — 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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS ACHE 4413/4885RAB9A 4709/4885SMN1; SMN2 4172/4885

“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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