SCHEMBL17535276

SCHEMBL17535276

CC(C)(C)N(C(=O)O)c1cnn(-c2cccnc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
TGFBR1 P36897 1/20 0.39
RIPK2 O43353 2/20 0.39
HPGDS O60760 1/20 0.38
ALKBH2 Q6NS38 1/20 0.38
MTOR P42345 2/20 0.37
ERCC5 P28715 1/20 0.37
NAMPT P43490 1/20 0.36
RPTOR Q8N122 1/20 0.36
MLST8 Q9BVC4 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
GRM4 Q14833 1/20 0.36
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
PRMT5 O14744 1/20 0.35

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
SCHEMBL2732597 0.83 CYP2A6 (0.42) CYP2A6TGFBR1RIPK2HPGDSALKBH2
SCHEMBL2730846 0.81 HTT (0.48) CYP2A6TGFBR1RIPK2HPGDSALKBH2
SCHEMBL28810506 0.80 TGFBR1 (0.43) CYP2A6TGFBR1RIPK2HPGDSALKBH2
SCHEMBL15975572 0.80 CYP2A6 (0.39) CYP2A6TGFBR1RIPK2HPGDSALKBH2
SCHEMBL17535300 0.79 ELOVL1 (0.36) RIPK2
SCHEMBL17802489 0.78 ADORA3 (0.42) NAMPTADORA3MAPK1MAPK13MAPK12
SCHEMBL10235989 0.78 GPR119 (0.43) CYP2A6TGFBR1RIPK2HPGDSALKBH2
SCHEMBL4965578 0.77 CYP2A6 (0.42) CYP2A6TGFBR1RIPK2HPGDSALKBH2
SCHEMBL4066046 0.77 HTT (0.44) NAMPTGAA
SCHEMBL2690352 0.77 GPR119 (0.42) CYP2A6TGFBR1RIPK2MTORERCC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
US-20160159766-A9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-09 US disclosed
US-9282739-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-03-15 US disclosed
US-20160060245-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-03-03 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 (2 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-20160159766-A9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885TGFBR1 1799/4885RIPK2 2576/4885
US-20160060245-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885TGFBR1 1799/4885RIPK2 2576/4885

“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.