SCHEMBL22095076

SCHEMBL22095076

Brc1cnc(-n2ccnn2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.39
PLAU P00749 1/20 0.37
MALT1 Q9UDY8 2/20 0.36
KEAP1 Q14145 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAP3K5 Q99683 1/20 0.33
CYP19A1 P11511 2/20 0.32

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
SCHEMBL31309043 1.00 NOTUM (0.39) NOTUMPLAUMALT1KEAP1EGLN2
SCHEMBL25003928 0.77 NOTUM (0.40) NOTUMMALT1KEAP1EGLN2ADORA2A
SCHEMBL22094055 0.75 SMN1; SMN2 (0.40) MALT1
SCHEMBL31309104 0.75 SMN1; SMN2 (0.40) MALT1
SCHEMBL22094765 0.74 NOTUM (0.37) NOTUMADORA2AADORA1CYP19A1
SCHEMBL28673251 0.74 NOTUM (0.35) NOTUMMALT1KEAP1ADORA2AADORA1
SCHEMBL22095085 0.71 CYP2A6 (0.40) PLAUCYP19A1
SCHEMBL31308977 0.71 CYP2A6 (0.40) PLAUCYP19A1
SCHEMBL22094175 0.70 NOTUM (0.34) NOTUMADORA2AADORA1CYP19A1
SCHEMBL31308993 0.70 NOTUM (0.34) NOTUMADORA2AADORA1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NOTUM 1387/4885PLAU 1209/4885MALT1 1416/4885

“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.