SCHEMBL2689533

SCHEMBL2689533

COCCNc1cn(-c2cccnc2)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
IRAK4 Q9NWZ3 3/20 0.37
HIF1A Q16665 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
MAPK1 P28482 2/20 0.37
DGAT1 O75907 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35
CYP2A6 P11509 1/20 0.35
HTT P42858 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
SCHEMBL2690355 0.86 PKM (0.42) SMN1; SMN2KDM4EIRAK4CYP3A4DGAT1
SCHEMBL15346954 0.85 MEN1 (0.47) ALDH1A1SMN1; SMN2KDM4EIRAK4LMNA
SCHEMBL15346819 0.85 CYP2A6 (0.38) ALDH1A1SMN1; SMN2KDM4EIRAK4LMNA
SCHEMBL15346750 0.84 IRAK4 (0.39) ALDH1A1SMN1; SMN2IRAK4MEN1CYP3A4
SCHEMBL2692307 0.83 MAT2A (0.41) IRAK4CYP3A4MAPK1DGAT1NPC1
Hydrochloric Acid SCHEMBL2688884 0.82 MAT2A (0.40) IRAK4CYP3A4MAPK1DGAT1NPC1
Ammonia Solution, Strong SCHEMBL20569938 0.82 MAT2A (0.40) ALDH1A1IRAK4MEN1CYP3A4KMT2A
Hydrochloric Acid SCHEMBL15346752 0.82 MAT2A (0.40) IRAK4CYP3A4MAPK1DGAT1NPC1
SCHEMBL15346862 0.81 GSK3A (0.39) ALDH1A1SMN1; SMN2IRAK4MEN1CYP3A4
SCHEMBL15346699 0.81 GSK3A (0.39) ALDH1A1SMN1; SMN2IRAK4MEN1CYP3A4

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
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
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
EP-2635278-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2013-09-11 EP 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-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 ALDH1A1 1073/4885SMN1; SMN2 4317/4885KDM4E 3338/4885
US-20160318924-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885SMN1; SMN2 4317/4885KDM4E 3338/4885
US-20160159766-A9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885SMN1; SMN2 4317/4885KDM4E 3338/4885
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885SMN1; SMN2 4317/4885KDM4E 3338/4885
US-20170181432-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885SMN1; SMN2 4317/4885KDM4E 3338/4885
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885SMN1; SMN2 4317/4885KDM4E 3338/4885
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885SMN1; SMN2 4317/4885KDM4E 3338/4885
US-20140162874-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885SMN1; SMN2 4317/4885KDM4E 3338/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS ALDH1A1 1073/4885SMN1; SMN2 4317/4885KDM4E 3338/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS ALDH1A1 1073/4885SMN1; SMN2 4317/4885KDM4E 3338/4885
US-20130288893-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885SMN1; SMN2 4317/4885KDM4E 3338/4885

“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.