SCHEMBL2690249

SCHEMBL2690249

CSCC(C)CNc1cn(-c2cccnc2)nc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.34
CYP2E1 P05181 2/20 0.34
PCSK9 Q8NBP7 4/20 0.34
NR3C1 P04150 1/20 0.33
CYP3A4 P08684 1/20 0.33
TLR8 Q9NR97 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 2/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAP3K5 Q99683 1/20 0.31
MAPK1 P28482 1/20 0.31
NAMPT P43490 1/20 0.31
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 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
SCHEMBL2692363 0.80 KCNH3 (0.36) CYP2A6CYP2E1CYP3A4TLR8NPC1
SCHEMBL15357302 0.79 NAMPT (0.38) CYP3A4NPC1RAB9AGAAIRAK4
SCHEMBL2691982 0.78 KDM6B (0.39) CYP2A6CYP2E1CYP3A4TLR8NPC1
SCHEMBL2691463 0.77 CYP2A6 (0.40) CYP2A6CYP2E1CYP3A4TLR8IRAK4
SCHEMBL14892746 0.77 CYP2A6 (0.38) CYP2A6CYP2E1CYP3A4TLR8NPC1
SCHEMBL2690304 0.76 CA12 (0.39) CYP2A6CYP2E1CYP3A4TLR8NPC1
Hydrochloric Acid SCHEMBL14892340 0.76 CYP2A6 (0.37) CYP2A6CYP2E1CYP3A4TLR8NPC1
SCHEMBL2690439 0.76 CYP2A6 (0.43) CYP2A6CYP2E1CYP3A4TLR8NPC1
SCHEMBL2690180 0.75 KDM4C (0.40) CYP2A6CYP2E1USP1WDR48
SCHEMBL15346928 0.73 KDM6B (0.39) CYP2A6CYP2E1NR3C1CYP3A4GAA

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 31 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-8815271-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-08-26 US disclosed
US-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-07-31 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
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
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 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
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 (12 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 CYP2A6 368/4885CYP2E1 56/4885PCSK9 2988/4885
US-20160318924-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885PCSK9 2988/4885
US-20160159766-A9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885PCSK9 2988/4885
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885PCSK9 2988/4885
US-20170181432-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885PCSK9 2988/4885
US-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885PCSK9 2988/4885
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885PCSK9 2988/4885
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885PCSK9 2988/4885
US-20140162874-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885PCSK9 2988/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885PCSK9 2988/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885PCSK9 2988/4885
US-20130288893-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885PCSK9 2988/4885

“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.