SCHEMBL25937339

SCHEMBL25937339

COc1cccc(OCC2CC2NC(=O)OC(C)(C)C)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
DRD2 P14416 5/20 0.38
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4B Q07343 3/20 0.36
CACNA1B Q00975 1/20 0.35
EPHX2 P34913 1/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
CNR2 P34972 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL30101551 1.00 KDM1A (0.38) KDM1ADRD2MAOBMAOAKMT2A
SCHEMBL25937342 0.73 FFAR4 (0.52)
SCHEMBL30800464 0.73 FFAR4 (0.52)
SCHEMBL30773715 0.73 DRD2 (0.52) DRD2MTNR1AMTNR1B
SCHEMBL31696401 0.73 PDE4B (0.37) KDM1ADRD2MAOBMAOAKMT2A
SCHEMBL31696494 0.73 PDE4B (0.37) KDM1ADRD2MAOBMAOAKMT2A
SCHEMBL25937244 0.72 CACNA1B (0.39) KDM1ADRD2MAOBKMT2AL3MBTL1
SCHEMBL25937251 0.72 BTK (0.44) KDM1AMAOBKMT2AL3MBTL1PDE4B
SCHEMBL18630854 0.71 KMT2A (0.49) KDM1AMAOBMAOAKMT2AL3MBTL1
SCHEMBL30800453 0.70 CA1 (0.54) KMT2AMAPT

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
CN-117715905-A Checkpoint kinase 1 (CHK 1) inhibitors and uses thereof 无界生物公司 2024-03-15 CN disclosed
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US 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 (2 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-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 KDM1A 1547/4885DRD2 4867/4885MAOB 4683/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 KDM1A 1547/4885DRD2 4867/4885MAOB 4683/4885

“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.