SCHEMBL22095085

SCHEMBL22095085

Brc1cnc(-n2cncn2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
CYP17A1 P05093 1/20 0.39
LMNA P02545 1/20 0.38
PIM1 P11309 1/20 0.37
PLAU P00749 1/20 0.37
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM4 Q14833 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 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
SCHEMBL31308977 1.00 CYP2A6 (0.40) CYP2A6CYP17A1LMNAPIM1PLAU
SCHEMBL25003716 0.77 CYP17A1 (0.37) CYP2A6CYP17A1LMNAPIM1KCNJ5
SCHEMBL31308861 0.75 MEN1 (0.40) CYP17A1KCNJ5KCNJ3MAPTKDM4E
SCHEMBL22093988 0.75 MEN1 (0.40) CYP17A1KCNJ5KCNJ3MAPTKDM4E
SCHEMBL22094252 0.74 CYP17A1 (0.35) CYP2A6CYP17A1LMNAPIM1KCNJ5
SCHEMBL31309011 0.74 CYP17A1 (0.35) CYP2A6CYP17A1LMNAPIM1KCNJ5
SCHEMBL17994856 0.73 PTK2 (0.47) CYP2A6CYP17A1LMNAPIM1ALDH1A1
SCHEMBL22095076 0.71 NOTUM (0.39) PLAUCYP19A1
SCHEMBL31309043 0.71 NOTUM (0.39) PLAUCYP19A1
SCHEMBL22095030 0.70 MEN1 (0.34) CYP2A6CYP17A1LMNAPIM1KCNJ5

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 CYP2A6 325/4885CYP17A1 2901/4885LMNA 1687/4885

“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.