SCHEMBL3222601

SCHEMBL3222601

c1nc(N2CCOCC2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.46
▸ MAPK1 P28482 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ PIK3R1 P27986 2/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ MTOR P42345 2/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL8743397 0.85 ALDH1A1 (0.35) GAAKDM4EKMT2AALDH1A1HTT
SCHEMBL16268170 0.81 HRH1 (0.40) MAPK1SMN1; SMN2KDM4ECYP2C19KMT2A
SCHEMBL16530613 0.79 SMN1; SMN2 (0.42) MAPK1POLBSMN1; SMN2KDM4ECYP2C19
SCHEMBL3986775 0.78 KDM4E (0.53) POLBSMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL229286 0.70 LMNA (0.57) GAAPOLBKDM4EPIK3R1PIK3CA
Hydrochloric Acid SCHEMBL7714167 0.68 KDM4E (0.57) GAAPOLBKDM4EPIK3R1PIK3CA
SCHEMBL907778 0.68 POLB (0.52) GAAMAPK1POLBSMN1; SMN2KDM4E
SCHEMBL16238117 0.68 PIK3CA (0.56) GAAMAPK1POLBSMN1; SMN2KDM4E
SCHEMBL8973821 0.68 HTT (0.63) GAAMAPK1POLBSMN1; SMN2KDM4E
SCHEMBL1286633 0.67 PIK3CA (0.50) GAAMAPK1POLBSMN1; SMN2KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567338-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2024-02-20 — — CN disclosed
US-20230028441-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-01-26 — — US disclosed
CN-114867529-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2022-08-05 — — CN disclosed
WO-2021069567-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-15 — — WO disclosed
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 — — US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 — — US disclosed
CN-101400653-A 11-beta HSD1 inhibitors WYETH CORP (US) 2009-04-01 — — CN disclosed
EP-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 — — EP disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 — — US disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 — — WO 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 (3 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 GAA 2353/4885MAPK1 837/4885POLB 1831/4885
US-20230028441-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 GAA 3193/4885MAPK1 4495/4885POLB 3893/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 GAA 2688/4885MAPK1 651/4885POLB 2595/4885

“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