SCHEMBL25937280

SCHEMBL25937280

CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1Oc1cccc(F)c1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.40
HCRTR2 O43614 2/20 0.40
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAOB P27338 1/20 0.37
F2R P25116 1/20 0.36
BTK Q06187 1/20 0.36
PDE4B Q07343 2/20 0.36
RORC P51449 2/20 0.35
SSTR4 P31391 2/20 0.35
CCR1 P32246 1/20 0.35
EPHX2 P34913 1/20 0.34
SSTR1 P30872 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
SCHEMBL25937283 1.00 HCRTR1 (0.40) HCRTR1HCRTR2KMT2AL3MBTL1KDM1A
SCHEMBL25937278 0.80 BTK (0.44) KMT2AL3MBTL1KDM1AMAOBBTK
SCHEMBL2379088 0.79 TAS1R3 (0.38) HCRTR1HCRTR2KMT2AL3MBTL1KDM1A
SCHEMBL2389864 0.79 TAS1R3 (0.38) HCRTR1HCRTR2KMT2AL3MBTL1KDM1A
SCHEMBL25937285 0.78 RORC (0.39) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL12290387 0.78 PDE4B (0.38) HCRTR1HCRTR2KMT2AL3MBTL1KDM1A
SCHEMBL27280455 0.78 HCRTR1 (0.35) HCRTR1HCRTR2KMT2AL3MBTL1KDM1A
SCHEMBL16493303 0.78 KDM1A (0.47) KMT2AL3MBTL1KDM1AHDAC4HDAC6
SCHEMBL20987891 0.77 KDM1A (0.50) KMT2AL3MBTL1KDM1AHDAC4HDAC6
SCHEMBL2391396 0.76 ALDH1A1 (0.39) HCRTR1HCRTR2KMT2AL3MBTL1HDAC4

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-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 HCRTR1 4420/4885HCRTR2 4550/4885KMT2A 1630/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 HCRTR1 4420/4885HCRTR2 4550/4885KMT2A 1630/4885

“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.