SCHEMBL5554556

SCHEMBL5554556

CCN1CCCC1CNc1nc(N)nc(NC2CCCCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
ACHE P22303 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.37
PDE4A P27815 1/20 0.37
VNN1 O95497 1/20 0.37

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
SCHEMBL5434394 0.88 PIM1 (0.42) PIM1ACHEALDH1A1KDM4ETP53
SCHEMBL5553498 0.88 PIM1 (0.39) PIM1ACHEALDH1A1KDM4ECYP3A4
SCHEMBL5431454 0.87 PIM1 (0.49) PIM1ACHEALDH1A1KDM4ECYP3A4
SCHEMBL5031301 0.87 PIM1 (0.42) PIM1ACHEALDH1A1KDM4ETP53
SCHEMBL14268895 0.82 ACHE (0.47) ACHEALDH1A1KDM4ETP53CYP3A4
SCHEMBL4838626 0.82 RAB9A (0.57) ALDH1A1KDM4ETP53CYP3A4TSHR
SCHEMBL4836468 0.81 RAB9A (0.46) PIM1ACHEALDH1A1MEN1KMT2A
SCHEMBL6856822 0.81 CTSS (0.44) ACHEALDH1A1KDM4ETP53CYP3A4
SCHEMBL4832652 0.81 RAB9A (0.51) ALDH1A1KDM4ETSHRHSD17B10MEN1
SCHEMBL14268811 0.81 RAB9A (0.46) ACHEALDH1A1KDM4ETP53CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-20060258641-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-11-16 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-20060258641-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS PIM1 2400/4885ACHE 4413/4885ALDH1A1 4407/4885

“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.