SCHEMBL22093571

SCHEMBL22093571

COc1ncc(CN(C)C(=O)Nc2ccc(F)c(C)c2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
ROCK2 O75116 1/20 0.37
CYP2C9 P11712 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
GRM4 Q14833 3/20 0.37
TACR1 P25103 1/20 0.36
LMNA P02545 2/20 0.36
MTOR P42345 1/20 0.36
MAPT P10636 1/20 0.36
NAMPT P43490 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BRAF P15056 1/20 0.35
MET P08581 1/20 0.34

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
SCHEMBL22094573 0.91 POLB (0.37) HTTGRM4LMNAMTORMAPT
SCHEMBL31308175 0.89 KDR (0.44) HTTLMNAMAPTMEN1KMT2A
SCHEMBL22094165 0.89 KDR (0.44) HTTLMNAMAPTMEN1KMT2A
SCHEMBL22094169 0.82 KMT2A (0.51) HTTNAMPTMEN1KMT2AALDH1A1
SCHEMBL31308415 0.82 KMT2A (0.51) HTTNAMPTMEN1KMT2AALDH1A1
SCHEMBL31309014 0.81 LMNA (0.48) HTTLMNAMAPTMEN1KMT2A
SCHEMBL22093864 0.81 LMNA (0.48) HTTLMNAMAPTMEN1KMT2A
SCHEMBL31308199 0.78 SMN1; SMN2 (0.48) HTTLMNAMAPTMEN1KMT2A
SCHEMBL22094166 0.78 SMN1; SMN2 (0.48) HTTLMNAMAPTMEN1KMT2A
SCHEMBL22093981 0.77 NTRK1 (0.43) HTTLMNAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113923988-B Substituted arylmethyl ureas and heteroarylmethyl ureas, analogs thereof, and methods of using the same 爱彼特生物制药公司 2024-12-13 CN claimed
EP-3893645-B1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2024-04-17 EP claimed
CN-113923988-A Substituted arylmethyl and heteroarylmethyl ureas, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-01-11 CN claimed
EP-3893645-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-10-20 EP claimed
WO-2020123674-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-06-18 WO claimed
CN-113923988-B Substituted arylmethyl ureas and heteroarylmethyl ureas, analogs thereof, and methods of using the same 爱彼特生物制药公司 2024-12-13 CN disclosed
EP-3893645-B1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2024-04-17 EP disclosed
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 US disclosed
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 US disclosed
CN-113923988-A Substituted arylmethyl and heteroarylmethyl ureas, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-01-11 CN disclosed
EP-3893645-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-10-20 EP disclosed
WO-2020123674-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-06-18 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 (1 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-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, HMBS, AHCY HTT 1317/4885ROCK2 4427/4885CYP2C9 208/4885

“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.