SCHEMBL22094015

SCHEMBL22094015

COc1ncc(CN)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.42
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
DPP4 P27487 1/20 0.39
CD274 Q9NZQ7 3/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.38
MGAT2 Q10469 1/20 0.37
PDCD1 Q15116 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2A6 P11509 1/20 0.34
TAAR1 Q96RJ0 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
SCHEMBL31309148 1.00 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19LOXL2MAPT
SCHEMBL22094445 0.84 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19MAPTCASP1
SCHEMBL31309028 0.83 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19MAPTCASP1
SCHEMBL20669649 0.82 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19MAPTCASP1
SCHEMBL31309047 0.82 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19MAPTCASP1
SCHEMBL22094249 0.79 SLC6A2 (0.47) ALDH1A1CYP1A2CYP2C19CD274PDCD1
SCHEMBL31308963 0.79 SLC6A2 (0.47) ALDH1A1CYP1A2CYP2C19CD274PDCD1
SCHEMBL24968896 0.78 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19MAPTCASP1
SCHEMBL24968891 0.77 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19MAPTCASP1
SCHEMBL24968892 0.77 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19MAPTMAPK1

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
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 US 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 ALDH1A1 2620/4885CYP1A2 563/4885CYP2C19 343/4885

“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.