SCHEMBL2690686

SCHEMBL2690686

CNc1c(Cl)c(-c2cccnc2)nn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2A13 Q16696 1/20 0.44
CYP3A4 P08684 2/20 0.42
CYP2E1 P05181 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2B6 P20813 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP1A2 P05177 1/20 0.41
P2RX7 Q99572 2/20 0.41
ADORA1 P30542 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GAA P10253 2/20 0.39
TBXAS1 P24557 1/20 0.38
GRM5 P41594 2/20 0.38
SLC34A1 Q06495 1/20 0.38

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
SCHEMBL16200063 0.81 ALDH1A1 (0.48) CYP2A6ALDH1A1CYP2A13CYP3A4CYP2E1
SCHEMBL2690242 0.80 CYP2A6 (0.45) CYP2A6ALDH1A1CYP2A13CYP3A4CYP2E1
SCHEMBL2690682 0.77 CYP2A6 (0.43) CYP2A6ALDH1A1CYP2A13CYP3A4CYP2E1
SCHEMBL16200054 0.77 P2RX7 (0.45) CYP2A6ALDH1A1CYP2A13CYP3A4CYP2E1
SCHEMBL19453173 0.74 CYP2A6 (0.50) CYP2A6ALDH1A1CYP2A13CYP3A4CYP2E1
SCHEMBL27464063 0.72 CYP2A6 (0.44) CYP2A6ALDH1A1CYP2A13CYP3A4CYP2E1
SCHEMBL16200083 0.72 ALDH1A1 (0.48) CYP2A6ALDH1A1CYP2A13CYP3A4CYP2E1
SCHEMBL2079138 0.72 TDP1 (0.48) CYP2A6ALDH1A1CYP2A13CYP3A4CYP2E1
SCHEMBL3589780 0.71 PIK3CD (0.43) CYP2A6ALDH1A1CYP2A13CYP3A4CYP2E1
Hydrochloric Acid SCHEMBL2079527 0.71 TDP1 (0.47) CYP2A6ALDH1A1CYP2A13CYP3A4CYP1A2

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 94 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-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-10165775-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-01-01 US disclosed
CN-105732580-B Pesticidal compositions and methods related thereto 陶氏益农公司 2018-12-07 CN disclosed
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-09-21 US disclosed
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-09-21 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-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
WO-2013062981-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 WO 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
US-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 US 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
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
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto CORTEVA AGRISCIENCE LLC 2012-05-03 US 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 (5 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 368/4885ALDH1A1 1073/4885CYP2A13 448/4885
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885ALDH1A1 1073/4885CYP2A13 448/4885
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885ALDH1A1 1073/4885CYP2A13 448/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS CYP2A6 368/4885ALDH1A1 1073/4885CYP2A13 448/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS CYP2A6 368/4885ALDH1A1 1073/4885CYP2A13 448/4885

“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.