SCHEMBL15910360

SCHEMBL15910360

CN(C(=O)CC(F)F)c1cnn(-c2cccnc2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
PRMT5 O14744 1/20 0.37
TGFBR1 P36897 1/20 0.37
NOTUM Q6P988 1/20 0.37
RIPK2 O43353 3/20 0.36
POLQ O75417 1/20 0.36
ERCC5 P28715 1/20 0.35
MTOR P42345 2/20 0.35
ALDH1A1 P00352 1/20 0.34
RPTOR Q8N122 1/20 0.34
MLST8 Q9BVC4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
DGAT1 O75907 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL15356747 0.84 POLQ (0.40) CYP2A6PRMT5TGFBR1NOTUMRIPK2
SCHEMBL2732597 0.81 CYP2A6 (0.42) CYP2A6PRMT5TGFBR1RIPK2ERCC5
SCHEMBL4965578 0.81 CYP2A6 (0.42) CYP2A6PRMT5TGFBR1RIPK2ERCC5
SCHEMBL2690115 0.81 CYP2A6 (0.39) CYP2A6PRMT5TGFBR1RIPK2ERCC5
SCHEMBL15975571 0.81 ALDH1A1 (0.38) CYP2A6PRMT5TGFBR1NOTUMRIPK2
SCHEMBL15975572 0.78 CYP2A6 (0.39) CYP2A6PRMT5TGFBR1RIPK2ERCC5
SCHEMBL14904631 0.78 MLYCD (0.50) CYP2A6RIPK2ALDH1A1NPC1RAB9A
SCHEMBL14904608 0.77 LMNA (0.37) CYP2A6PRMT5TGFBR1RIPK2ERCC5
SCHEMBL2690352 0.75 GPR119 (0.42) CYP2A6PRMT5TGFBR1RIPK2ERCC5
SCHEMBL2730846 0.74 HTT (0.48) CYP2A6PRMT5TGFBR1RIPK2ERCC5

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-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-07-31 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-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885PRMT5 1049/4885TGFBR1 1799/4885

“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.