SCHEMBL24977286

SCHEMBL24977286

Oc1cccc(F)c1-c1ccno1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 3/20 0.37
LMNA P02545 3/20 0.37
NPC1 O15118 2/20 0.37
NOTUM Q6P988 1/20 0.36
PDE4B Q07343 1/20 0.33
CASP3 P42574 3/20 0.33
SENP8 Q96LD8 3/20 0.33
SENP7 Q9BQF6 3/20 0.33
SENP6 Q9GZR1 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9680967 0.86 NOTUM (0.42) EPHX2ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL28548601 0.76 MEN1 (0.47) EPHX2ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL29788605 0.76 MEN1 (0.47) EPHX2ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL4053984 0.74 EPHX2 (0.49) EPHX2ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL30800443 0.74 GAA (0.47) EPHX2ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL24977757 0.74 GAA (0.47) EPHX2ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL2415309 0.71 EPHX2 (0.58) EPHX2ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL16915384 0.70 LMNA (0.33) SMN1; SMN2RAB9ALMNANPC1CASP3
SCHEMBL5582413 0.70 CASP6 (0.40) EPHX2ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL29541827 0.69 BCAT1 (0.46) EPHX2ALDH1A1KDM4EGAASMN1; SMN2

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
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
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-01-26 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 (3 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 EPHX2 3052/4885ALDH1A1 2769/4885KDM4E 1925/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 EPHX2 3052/4885ALDH1A1 2769/4885KDM4E 1925/4885
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 EPHX2 3052/4885ALDH1A1 2769/4885KDM4E 1925/4885

“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.