SCHEMBL4969611

SCHEMBL4969611

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.38
CYP2A6 P11509 2/20 0.38
RIPK2 O43353 3/20 0.38
PRMT5 O14744 1/20 0.37
MTOR P42345 2/20 0.37
GRM1 Q13255 1/20 0.36
RPTOR Q8N122 1/20 0.35
MLST8 Q9BVC4 1/20 0.35
HTT P42858 1/20 0.35
ERCC5 P28715 1/20 0.35
HPGDS O60760 1/20 0.35
ALKBH2 Q6NS38 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
PIK3CD O00329 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CYP2E1 P05181 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
SCHEMBL2690115 0.86 CYP2A6 (0.39) TGFBR1CYP2A6RIPK2PRMT5MTOR
SCHEMBL14904626 0.83 HTT (0.41) TGFBR1CYP2A6RIPK2PRMT5MTOR
SCHEMBL15910362 0.81 MLYCD (0.40) TGFBR1CYP2A6RIPK2PRMT5MTOR
SCHEMBL4965575 0.81 ALDH1A1 (0.36) TGFBR1CYP2A6RIPK2PRMT5MTOR
SCHEMBL15975570 0.79 LMNA (0.46) PRMT5HTTERCC5
SCHEMBL8132461 0.78 HTT (0.43) HTTCYP2C19
SCHEMBL4965578 0.76 CYP2A6 (0.42) TGFBR1CYP2A6RIPK2PRMT5MTOR
SCHEMBL2732597 0.76 CYP2A6 (0.42) TGFBR1CYP2A6RIPK2PRMT5MTOR
SCHEMBL14904631 0.76 MLYCD (0.50) CYP2A6RIPK2HTTCYP2C19
SCHEMBL14904608 0.75 LMNA (0.37) TGFBR1CYP2A6RIPK2PRMT5MTOR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10165775-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-01-01 US disclosed
US-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
US-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
US-9655365-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-05-23 US disclosed
US-9655365-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-05-23 US disclosed
US-9591857-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-03-14 US disclosed
US-9591857-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-03-14 US disclosed
US-20160318924-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-11-03 US disclosed
US-9422278-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-08-23 US disclosed
US-9422278-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-08-23 US disclosed
US-8937083-B2 Pesticidal compositions and processes related thereto DowAgroSciences, LLC (US) 2015-01-20 US disclosed
US-8937083-B2 Pesticidal compositions and processes related thereto DowAgroSciences, LLC (US) 2015-01-20 US disclosed
US-8901153-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-12-02 US disclosed
US-8901153-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-12-02 US disclosed
US-8815271-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-08-26 US disclosed
US-8815271-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-08-26 US disclosed
US-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 US disclosed
WO-2013062981-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 WO disclosed
WO-2012061290-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO disclosed
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto CORTEVA AGRISCIENCE LLC 2012-05-03 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 (4 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-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS TGFBR1 1799/4885CYP2A6 368/4885RIPK2 2576/4885
US-20160318924-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS TGFBR1 1799/4885CYP2A6 368/4885RIPK2 2576/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS TGFBR1 1799/4885CYP2A6 368/4885RIPK2 2576/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS TGFBR1 1799/4885CYP2A6 368/4885RIPK2 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.