SCHEMBL6026934

SCHEMBL6026934

CCN(C(=O)OC(C)(C)C)n1cc(-c2cccnc2)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.40
CYP2E1 P05181 3/20 0.40
CYP2A6 P11509 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2B6 P20813 3/20 0.40
CYP3A4 P08684 2/20 0.40
GPR119 Q8TDV5 1/20 0.39
NR4A2 P43354 1/20 0.37
TLR8 Q9NR97 1/20 0.37
DCTPP1 Q9H773 1/20 0.37
GBA1 P04062 1/20 0.36
DUSP10 Q9Y6W6 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
CYP2D6 P10635 1/20 0.35
CPB2 Q96IY4 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL17339913 0.88 CYP2A6 (0.41) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL2690953 0.84 CYP2C19 (0.45) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL2690192 0.79 CYP2A6 (0.51) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL17159494 0.77 DUSP10 (0.36) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL2688420 0.77 GPR119 (0.39) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL14908418 0.76 HTT (0.35) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL15589773 0.76 GPR119 (0.40) GPR119GBA1KDM4ECPB2PDE10A
SCHEMBL6125041 0.73 CYP2A6 (0.43) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL6025449 0.71 CYP2A6 (0.46) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL2689848 0.71 CYP2A6 (0.46) CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9210931-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2015-12-15 US disclosed
US-9210931-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2015-12-15 US disclosed
US-20150289509-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-10-15 US disclosed
US-20150289509-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-10-15 US disclosed
US-20150289509-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-10-15 US disclosed
EP-2901858-A1 Pesticidal compositions and processes related thereto Dow AgroSciences LLC (US) 2015-08-05 EP disclosed
US-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 US disclosed
US-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 US disclosed
US-8680121-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-03-25 US disclosed
US-8680121-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-03-25 US disclosed
WO-2013062980-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 WO disclosed
WO-2012061288-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO disclosed
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-03 US disclosed
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 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 (3 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-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT CYP2C19 280/4885CYP2E1 56/4885CYP2A6 296/4885
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT CYP2C19 280/4885CYP2E1 56/4885CYP2A6 296/4885
US-20150289509-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT CYP2C19 280/4885CYP2E1 56/4885CYP2A6 296/4885

“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.