SCHEMBL2692363

SCHEMBL2692363

CSCCCNc1cn(-c2cccnc2)nc1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.36
CYP2A6 P11509 3/20 0.35
CYP2E1 P05181 2/20 0.35
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
CYP3A4 P08684 1/20 0.33
DGAT1 O75907 1/20 0.32
TLR8 Q9NR97 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
NAMPT P43490 1/20 0.32
RIPK2 O43353 1/20 0.31
FAAH O00519 1/20 0.31
KCNH2 Q12809 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL2691982 0.84 KDM6B (0.39) CYP2A6CYP2E1IRAK4CYP3A4DGAT1
SCHEMBL2690249 0.80 CYP2A6 (0.34) CYP2A6CYP2E1IRAK4CYP3A4TLR8
SCHEMBL14904620 0.78 TDP1 (0.41) IRAK4CYP3A4NPC1RAB9AGAA
SCHEMBL14892746 0.78 CYP2A6 (0.38) CYP2A6CYP2E1GSK3AGSK3BIRAK4
Hydrochloric Acid SCHEMBL14892340 0.77 CYP2A6 (0.37) KCNH3CYP2A6CYP2E1GSK3AGSK3B
SCHEMBL2690304 0.77 CA12 (0.39) CYP2A6CYP2E1IRAK4CYP3A4TLR8
SCHEMBL2690439 0.76 CYP2A6 (0.43) CYP2A6CYP2E1IRAK4CYP3A4TLR8
SCHEMBL2690180 0.76 KDM4C (0.40) CYP2A6CYP2E1RIPK2
SCHEMBL2691463 0.73 CYP2A6 (0.40) CYP2A6CYP2E1IRAK4CYP3A4TLR8
SCHEMBL14904591 0.73 NAMPT (0.38) IRAK4DGAT1NPC1RAB9AGAA

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 33 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-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-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
US-20170181432-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-06-29 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-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-20160159766-A9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-09 US disclosed
US-20140162874-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-06-12 US disclosed
WO-2013162716-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 WO disclosed
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 US disclosed
WO-2013162715-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 WO disclosed
US-20130288893-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 US disclosed
EP-2635278-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2013-09-11 EP 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 (11 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 KCNH3 2270/4885CYP2A6 368/4885CYP2E1 56/4885
US-20160318924-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KCNH3 2270/4885CYP2A6 368/4885CYP2E1 56/4885
US-20160159766-A9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KCNH3 2270/4885CYP2A6 368/4885CYP2E1 56/4885
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KCNH3 2270/4885CYP2A6 368/4885CYP2E1 56/4885
US-20170181432-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KCNH3 2270/4885CYP2A6 368/4885CYP2E1 56/4885
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KCNH3 2270/4885CYP2A6 368/4885CYP2E1 56/4885
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KCNH3 2270/4885CYP2A6 368/4885CYP2E1 56/4885
US-20140162874-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KCNH3 2270/4885CYP2A6 368/4885CYP2E1 56/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS KCNH3 2270/4885CYP2A6 368/4885CYP2E1 56/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS KCNH3 2270/4885CYP2A6 368/4885CYP2E1 56/4885
US-20130288893-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS KCNH3 2270/4885CYP2A6 368/4885CYP2E1 56/4885

“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.