SCHEMBL2689360

SCHEMBL2689360

Cc1nc(-c2cccnc2)cn1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
NAMPT P43490 2/20 0.42
CYP2A6 P11509 3/20 0.39
GBA1 P04062 1/20 0.39
IDO1 P14902 1/20 0.39
CYP3A4 P08684 3/20 0.38
BRD9 Q9H8M2 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PDE10A Q9Y233 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
POLB P06746 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2B6 P20813 1/20 0.37
KIT P10721 1/20 0.37
AURKA O14965 1/20 0.37

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
SCHEMBL2730816 0.89 CYP2A6 (0.43) RAB9ACYP2A6CYP3A4CYP2C9CYP2C19
SCHEMBL2691744 0.83 CYP2A6 (0.45) HTTRAB9ACYP2A6CYP3A4CYP2C9
SCHEMBL6024459 0.82 PIK3CA (0.45) RAB9ACYP2A6CYP3A4CYP2C9CYP2C19
SCHEMBL14908430 0.79 CYP2A6 (0.41) HTTRAB9ACYP2A6CYP3A4CYP2C9
SCHEMBL10269516 0.79 CYP2A6 (0.44) RAB9ANAMPTCYP2A6CYP3A4CYP2C9
SCHEMBL2690803 0.78 HTT (0.46) HTTRAB9ANAMPTCYP2A6GBA1
SCHEMBL27939412 0.77 CYP2C19 (0.50) HTTRAB9ANAMPTCYP2A6IDO1
SCHEMBL2690120 0.76 CYP2A6 (0.49) CYP2A6CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL2688420 0.76 GPR119 (0.39) HTTRAB9ACYP2A6GBA1CYP3A4
SCHEMBL27988856 0.76 CYP2A6 (0.43) HTTRAB9ACYP2A6CYP3A4CYP2C9

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 21 patents — showing the first 20. 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-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
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-20140135218-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-05-15 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
US-8680121-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-03-25 US disclosed
CN-103281901-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2013-09-04 CN 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
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 (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-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT HTT 4543/4885RAB9A 1063/4885NAMPT 3083/4885
US-20140135218-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT HTT 4543/4885RAB9A 1063/4885NAMPT 3083/4885
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT HTT 4543/4885RAB9A 1063/4885NAMPT 3083/4885
US-20150289509-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT HTT 4543/4885RAB9A 1063/4885NAMPT 3083/4885

“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.