SCHEMBL2690352

SCHEMBL2690352

CN(C(=O)OC(C)(C)C)c1cnn(-c2cccnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.42
GRM5 P41594 1/20 0.42
GRM1 Q13255 1/20 0.42
BRD4 O60885 1/20 0.38
PAX8 Q06710 1/20 0.38
HTT P42858 1/20 0.38
TGFBR1 P36897 1/20 0.37
CPB2 Q96IY4 1/20 0.37
RIPK2 O43353 3/20 0.37
CYP2A6 P11509 1/20 0.37
RAB9A P51151 1/20 0.36
PRMT5 O14744 1/20 0.36
MTOR P42345 2/20 0.35
NAMPT P43490 1/20 0.35
RPTOR Q8N122 1/20 0.34
MLST8 Q9BVC4 1/20 0.34
MAPK1 P28482 1/20 0.34
ERCC5 P28715 1/20 0.34

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
SCHEMBL10235989 0.89 GPR119 (0.43) GPR119GRM5GRM1HTTTGFBR1
SCHEMBL2689740 0.85 CPB2 (0.41) GPR119GRM5GRM1HTTTGFBR1
SCHEMBL15975572 0.84 CYP2A6 (0.39) GPR119GRM5GRM1HTTTGFBR1
SCHEMBL2732597 0.82 CYP2A6 (0.42) TGFBR1RIPK2CYP2A6RAB9APRMT5
SCHEMBL4965578 0.82 CYP2A6 (0.42) TGFBR1RIPK2CYP2A6PRMT5MTOR
SCHEMBL2692078 0.80 GRM5 (0.44) GPR119GRM5GRM1BRD4HTT
SCHEMBL31554105 0.79 NOTUM (0.48) GPR119BRD4PAX8HTTRAB9A
SCHEMBL479924 0.79 NOTUM (0.48) GPR119BRD4PAX8HTTRAB9A
SCHEMBL2690115 0.79 CYP2A6 (0.39) GRM1TGFBR1RIPK2CYP2A6RAB9A
SCHEMBL14904631 0.79 MLYCD (0.50) HTTRIPK2CYP2A6RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-02-20 US disclosed
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-02-20 US disclosed
US-10165775-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-01-01 US disclosed
US-10165775-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-01-01 US disclosed
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-09-21 US disclosed
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-09-21 US disclosed
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-09-21 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-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
WO-2013062981-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 WO 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
US-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 US disclosed
US-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 US disclosed
WO-2012061290-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 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
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto CORTEVA AGRISCIENCE LLC 2012-05-03 US 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 (5 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 GPR119 1101/4885GRM5 2754/4885GRM1 2514/4885
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS GPR119 1101/4885GRM5 2754/4885GRM1 2514/4885
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS GPR119 1101/4885GRM5 2754/4885GRM1 2514/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS GPR119 1101/4885GRM5 2754/4885GRM1 2514/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS GPR119 1101/4885GRM5 2754/4885GRM1 2514/4885

“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.