SCHEMBL30101686

SCHEMBL30101686

Cc1ccc(O[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(I)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
BTK Q06187 4/20 0.39
PIK3CD O00329 2/20 0.39
KAT6A Q92794 1/20 0.37
KAT5 Q92993 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 2/20 0.37
ACACB O00763 1/20 0.36
EPHX2 P34913 1/20 0.35
JAK1 P23458 3/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35

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
SCHEMBL24977576 1.00 KDM1A (0.40) KDM1AMAOBBTKPIK3CDKAT6A
SCHEMBL24978468 1.00 KDM1A (0.40) KDM1AMAOBBTKPIK3CDKAT6A
SCHEMBL25938706 0.80 KDM1A (0.43) KDM1AMAOBBTKPIK3CDKAT6A
SCHEMBL25938731 0.80 KDM1A (0.43) KDM1AMAOBBTKPIK3CDKAT6A
SCHEMBL25938712 0.78 KDM1A (0.42) KDM1AMAOBBTKPIK3CDKAT6A
SCHEMBL25938734 0.78 KDM1A (0.42) KDM1AMAOBBTKPIK3CDKAT6A
SCHEMBL24977609 0.78 KDM1A (0.40) KDM1AMAOBBTKPIK3CDKMT2A
SCHEMBL31614191 0.77 KDM1A (0.41) KDM1AMAOBBTKPIK3CDKMT2A
SCHEMBL30101572 0.77 PIK3CD (0.41) KDM1AMAOBBTKPIK3CDKMT2A
SCHEMBL25938848 0.77 PIK3CD (0.41) KDM1AMAOBBTKPIK3CDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527790-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2026-01-20 US disclosed
EP-4347582-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF Boundless Bio, Inc. (US) 2024-04-10 EP 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-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-01-26 US disclosed
WO-2022251502-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. (US) 2022-12-01 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 (4 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 1547/4885MAOB 4683/4885BTK 712/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 KDM1A 1547/4885MAOB 4683/4885BTK 712/4885
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 KDM1A 1547/4885MAOB 4683/4885BTK 712/4885
US-12527790-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, RAD1, CHEK2 KDM1A 1007/4885MAOB 3837/4885BTK 628/4885

“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.