SCHEMBL2689254

SCHEMBL2689254

CNc1c(C)nn(-c2cccnc2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
MAPT P10636 5/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
CYP2A6 P11509 3/20 0.41
CYP2E1 P05181 2/20 0.41
CYP3A4 P08684 2/20 0.41
BRAF P15056 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NR3C1 P04150 1/20 0.39
MAT2A P31153 1/20 0.39
HPGD P15428 3/20 0.39
GRM1 Q13255 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL2689365 0.83 SMN1; SMN2 (0.41) SMN1; SMN2MAPTCYP2A6CYP2E1CYP3A4
SCHEMBL2691251 0.83 CYP2A6 (0.41) SMN1; SMN2MAPTPOLBCYP2A6CYP2E1
SCHEMBL9026635 0.78 CYP2A6 (0.44) SMN1; SMN2MAPTPOLBLMNAGAA
SCHEMBL18949738 0.73 TSHR (0.49) SMN1; SMN2MAPTPOLBCYP2A6CYP2E1
SCHEMBL2688872 0.73 SMN1; SMN2 (0.46) SMN1; SMN2MAPTPOLBLMNAGAA
SCHEMBL9026151 0.72 GRM1 (0.46) CYP2A6CYP2E1CYP3A4GRM1ALDH1A1
SCHEMBL12335152 0.71 SMN1; SMN2 (0.57) SMN1; SMN2MAPTPOLBLMNACYP2A6
SCHEMBL25823001 0.71 CYP2A6 (0.44) SMN1; SMN2MAPTPOLBLMNACYP2A6
SCHEMBL13740923 0.71 CYP2A6 (0.44) SMN1; SMN2MAPTCYP2A6CYP2E1CYP3A4
SCHEMBL16659428 0.71 CYP2A6 (0.44) LMNACYP2A6CYP2E1CYP3A4GRM1

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 25 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-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-9422278-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-08-23 US disclosed
US-9282739-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-03-15 US disclosed
US-20150166531-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-06-18 US disclosed
EP-2852284-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2015-04-01 EP disclosed
US-20150072859-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-03-12 US disclosed
EP-2840898-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2015-03-04 EP disclosed
US-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-07-31 US disclosed
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 US disclosed
US-20130288893-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
WO-2013162716-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 (10 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 SMN1; SMN2 4317/4885MAPT 3415/4885POLB 3807/4885
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS SMN1; SMN2 4317/4885MAPT 3415/4885POLB 3807/4885
US-20170181432-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS SMN1; SMN2 4317/4885MAPT 3415/4885POLB 3807/4885
US-20150072859-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS SMN1; SMN2 4317/4885MAPT 3415/4885POLB 3807/4885
US-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS SMN1; SMN2 4317/4885MAPT 3415/4885POLB 3807/4885
US-20150166531-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS SMN1; SMN2 4317/4885MAPT 3415/4885POLB 3807/4885
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS SMN1; SMN2 4317/4885MAPT 3415/4885POLB 3807/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS SMN1; SMN2 4317/4885MAPT 3415/4885POLB 3807/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS SMN1; SMN2 4317/4885MAPT 3415/4885POLB 3807/4885
US-20130288893-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS SMN1; SMN2 4317/4885MAPT 3415/4885POLB 3807/4885

“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.