SCHEMBL2688788

SCHEMBL2688788

Cn1nc(-c2cccnc2)cc1NCC1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 3/20 0.49
▸ PDE5A O76074 2/20 0.45
▸ FYN P06241 1/20 0.42
▸ CYP2A6 P11509 3/20 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
▸ F2 P00734 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ CRHR1 P34998 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ GBA1 P04062 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ ATM Q13315 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
SCHEMBL2689091 0.84 CYP2A6 (0.49) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL2691331 0.78 CYP2A6 (0.50) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL11936195 0.76 MAPT (0.44) VCP
SCHEMBL5307503 0.75 MEN1 (0.38) VCPMEN1KMT2A
SCHEMBL17980254 0.75 MAPT (0.55) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL2690983 0.72 GPR142 (0.50) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL12279439 0.70 CYP2A6 (0.54) FYNCYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL2689845 0.70 CYP2A6 (0.54) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL9564402 0.70 VCP (0.49) VCPPDE5AFYNCYP2A6CYP2E1
SCHEMBL12744778 0.69 CYP2A6 (0.53) FYNCYP2A6CYP2E1CYP2C9CYP2B6

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
WO-2013162715-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 — — WO 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
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 VCP 1254/4885PDE5A 312/4885FYN 2229/4885
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS VCP 1254/4885PDE5A 312/4885FYN 2229/4885
US-20170181432-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS VCP 1254/4885PDE5A 312/4885FYN 2229/4885
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS VCP 1254/4885PDE5A 312/4885FYN 2229/4885
US-20170267657-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS VCP 1254/4885PDE5A 312/4885FYN 2229/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS VCP 1254/4885PDE5A 312/4885FYN 2229/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS VCP 1254/4885PDE5A 312/4885FYN 2229/4885
US-20130288893-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS VCP 1254/4885PDE5A 312/4885FYN 2229/4885

“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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