SCHEMBL23537658

SCHEMBL23537658

Cn1c2c(c3ccccc3c1=O)C(=O)CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CSNK2A1 P68400 6/20 0.41
CSNK2B P67870 5/20 0.41
CSNK2A2 P19784 3/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
TP53 P04637 1/20 0.39
CREBBP Q92793 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
PKM P14618 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL29824768 1.00 BUB1 (0.43) BUB1ALDH1A1MAPTNPSR1CSNK2A1
SCHEMBL1146660 0.83 HTR2A (0.51) BUB1ALDH1A1TP53CREBBPHDAC1
SCHEMBL30223533 0.83 HTR2A (0.51) BUB1ALDH1A1TP53CREBBPHDAC1
SCHEMBL7428637 0.80 HTR2A (0.51) ALDH1A1TP53CREBBPHDAC1HDAC6
SCHEMBL13324130 0.76 TP53 (0.46) BUB1ALDH1A1MAPTNPSR1CSNK2A1
SCHEMBL7285389 0.75 JAK2 (0.38) BUB1ALDH1A1CSNK2A1CSNK2BCSNK2A2
SCHEMBL984 0.72 HTR2A (0.54) ALDH1A1TP53CREBBPKDM4EHTR2A
SCHEMBL17895742 0.72 KDM4E (0.38) BUB1ALDH1A1CSNK2A1CSNK2BCSNK2A2
SCHEMBL9803002 0.72 HTT (0.41) BUB1ALDH1A1CSNK2A1CSNK2BCSNK2A2
SCHEMBL22708510 0.70 TP53 (0.46) ALDH1A1MAPTNPSR1CSNK2A1CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230108906-A1 SUBSTITUTED BICYCLIC AND TRICYCLIC UREAS AND AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-04-06 US disclosed
EP-4076648-A1 SUBSTITUTED BICYCLIC AND TRICYCLIC UREAS AND AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2022-10-26 EP disclosed
CN-115087486-A Substituted bicyclic and tricyclic ureas and amides, analogs thereof, and methods of use thereof 爱彼特生物制药公司 2022-09-20 CN disclosed
WO-2021127356-A1 Substituted Bicyclic and Tricyclic Ureas and Amides, Analogues Thereof, and Methods Using Same ARBUTUS BIOPHARMA, INC. (US) 2021-06-24 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-20230108906-A1 SUBSTITUTED BICYCLIC AND TRICYCLIC UREAS AND AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME DDC, CDA, HMBS BUB1 919/4885ALDH1A1 3407/4885MAPT 2508/4885

“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.