SCHEMBL6861989

SCHEMBL6861989

CCN1CCCC1CN(c1nc(N)nc(Nc2ccc(C)cc2)n1)C1CCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 2/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
JAK2 O60674 1/20 0.39
ADORA2A P29274 2/20 0.38
HTT P42858 2/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 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
SCHEMBL6608904 0.84 GALR1 (0.43) L3MBTL1SMN1; SMN2CYP2D6CYP2C19ALDH1A1
SCHEMBL5550316 0.84 GALR1 (0.43) L3MBTL1SMN1; SMN2CYP2D6CYP2C19ALDH1A1
SCHEMBL6429807 0.75 HTT (0.39) L3MBTL1MAPK1SMN1; SMN2LMNACYP2D6
SCHEMBL6862311 0.72 CTSL (0.35) LMNATSHRJAK2NPSR1ALDH1A1
SCHEMBL4835999 0.72 GALR1 (0.40) LMNATSHRCYP2D6CYP2C19JAK2
SCHEMBL4838559 0.71 GALR1 (0.41) LMNATSHRCYP2D6CYP2C19JAK2
SCHEMBL5553491 0.71 GALR1 (0.46)
SCHEMBL5552440 0.71 PIM1 (0.43) L3MBTL1LMNATSHRUSP2ALDH1A1
SCHEMBL4829533 0.71 GALR1 (0.41) LMNATSHRCYP2D6CYP2C19JAK2
SCHEMBL4838626 0.70 RAB9A (0.57) MAPK1SMN1; SMN2LMNATSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077648-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-04-22 US claimed

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-20040077648-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS L3MBTL1 4810/4885MAPK1 343/4885SMN1; 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.