SCHEMBL20658609

SCHEMBL20658609

O=C(O)C1CCN(c2ccnc3nccnc23)C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 17/20 0.54
KDM4E B2RXH2 1/20 0.47
CYP2C19 P33261 1/20 0.47
NEK2 P51955 1/20 0.46
KEAP1 Q14145 1/20 0.45

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
SCHEMBL18980089 0.92 KDM4E (0.53) NOTUMKDM4ECYP2C19NEK2
SCHEMBL18980404 0.82 KDM4E (0.46) KDM4ECYP2C19NEK2
SCHEMBL15775592 0.76 KDM4E (0.48) NOTUMKDM4ECYP2C19NEK2
SCHEMBL20670365 0.75 TP53 (0.47) KDM4E
SCHEMBL30595450 0.75 TP53 (0.47) KDM4E
SCHEMBL10078646 0.74 CYP8B1 (0.53) NOTUMCYP2C19KEAP1
SCHEMBL1224565 0.74 CYP8B1 (0.53) NOTUMCYP2C19KEAP1
SCHEMBL3665484 0.74 CYP8B1 (0.53) NOTUMCYP2C19KEAP1
SCHEMBL23879296 0.73 CTSB (0.36) KDM4E
SCHEMBL15618990 0.73 PBK (0.50) NOTUMKDM4ECYP2C19KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110944990-B TLR7/8 antagonists and uses thereof 默克专利股份公司 2024-06-18 CN disclosed
EP-4248968-A2 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2023-09-27 EP disclosed
US-20200369648-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-26 US disclosed
US-10836750-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-11-17 US disclosed
US-10793553-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-10-06 US disclosed
EP-3655401-A1 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2020-05-27 EP disclosed
CN-110944990-A TLR7/8 antagonists and uses thereof 默克专利股份公司 2020-03-31 CN disclosed
WO-2019018354-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-01-24 WO disclosed
US-20190023687-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-01-24 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 (4 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-20200369648-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 NOTUM 4327/4885KDM4E 2161/4885CYP2C19 3047/4885
US-20190023687-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 NOTUM 4256/4885KDM4E 1982/4885CYP2C19 2398/4885
US-10793553-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 NOTUM 4256/4885KDM4E 1982/4885CYP2C19 2398/4885
US-10836750-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 NOTUM 4327/4885KDM4E 2161/4885CYP2C19 3047/4885

“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.