SCHEMBL2689279

SCHEMBL2689279

CCn1nc(-c2cccnc2)cc1NC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 7/20 0.51
▸ CYP3A4 P08684 5/20 0.51
▸ CYP2E1 P05181 3/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ CYP2B6 P20813 3/20 0.51
▸ CYP2C19 P33261 3/20 0.51
▸ TBXAS1 P24557 1/20 0.48
▸ F2 P00734 1/20 0.42
▸ EPHX2 P34913 2/20 0.41
▸ PRMT6 Q96LA8 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ ALK Q9UM73 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ PRKCA P17252 1/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39

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
SCHEMBL2691331 0.81 CYP2A6 (0.50) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL12744791 0.79 CYP2C9 (0.54) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL4057475 0.78 TBXAS1 (0.55) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL2690530 0.76 USP8 (0.55) ALDH1A1KDM4EMAPTUSP8
SCHEMBL4059984 0.76 TBXAS1 (0.56) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL18642566 0.76 CYP2A6 (0.54) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL2689091 0.75 CYP2A6 (0.49) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL4053223 0.74 TBXAS1 (0.51) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL14844251 0.73 CYP2A6 (0.47) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL4055066 0.71 TBXAS1 (0.48) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6

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 47 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
CN-105732580-B Pesticidal compositions and methods related thereto 陶氏益农公司 2018-12-07 — — CN disclosed
CN-104822266-B Pesticidal compositions and methods related thereto 陶氏益农公司 2017-12-05 — — CN 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
CN-104378986-B Pesticidal compositions and methods related thereto 陶氏益农公司 2017-05-31 — — CN disclosed
US-9655365-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-05-23 — — US disclosed
CN-104010505-B Pesticidal compositions and methods related thereto 陶氏益农公司 2017-03-15 — — CN disclosed
CN-103619171-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2014-03-05 — — CN 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
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 (8 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 368/4885CYP3A4 129/4885CYP2E1 56/4885
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP3A4 129/4885CYP2E1 56/4885
US-20170181432-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP3A4 129/4885CYP2E1 56/4885
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP3A4 129/4885CYP2E1 56/4885
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP3A4 129/4885CYP2E1 56/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS CYP2A6 368/4885CYP3A4 129/4885CYP2E1 56/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS CYP2A6 368/4885CYP3A4 129/4885CYP2E1 56/4885
US-20130288893-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP3A4 129/4885CYP2E1 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.

Send feedback