SCHEMBL2689091

SCHEMBL2689091

CCNc1cc(-c2cccnc2)nn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.49
▸ CYP2E1 P05181 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2B6 P20813 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALK Q9UM73 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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 0.85 CYP2A6 (0.50) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL2688788 0.84 VCP (0.49) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL15910361 0.83 CYP3A4 (0.45) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL17980254 0.81 MAPT (0.55) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL2690983 0.78 GPR142 (0.50) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL2689845 0.76 CYP2A6 (0.54) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL12279439 0.76 CYP2A6 (0.54) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL2689279 0.75 CYP2A6 (0.51) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL12744778 0.75 CYP2A6 (0.53) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL28574445 0.75 CYP2A6 (0.53) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19

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 38 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
CN-105753839-A Pesticidal Compositions And Processes Related Thereto 陶氏益农公司 2016-07-13 — — CN 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
CN-103619171-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2014-03-05 — — CN 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
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 (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 CYP2A6 368/4885CYP2E1 56/4885CYP2C9 212/4885
US-20160318924-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP2C9 212/4885
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP2C9 212/4885
US-20170181432-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP2C9 212/4885
US-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP2C9 212/4885
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP2C9 212/4885
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP2C9 212/4885
US-20140162874-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP2C9 212/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP2C9 212/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP2C9 212/4885
US-20130288893-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP2A6 368/4885CYP2E1 56/4885CYP2C9 212/4885

“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.

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