SCHEMBL25937293

SCHEMBL25937293

CC[C@@H]1CC[C@@H](Oc2ccc(C)nc2Br)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.37
ENPP2 Q13822 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CYP19A1 P11511 1/20 0.32
HCRTR2 O43614 4/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
MCHR1 Q99705 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HCRTR1 O43613 1/20 0.30

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
SCHEMBL25937290 0.81 MCHR1 (0.46) S1PR4MEN1KMT2ACYP19A1GRIN1
SCHEMBL25937265 0.72 HTR2A (0.33)
SCHEMBL25937266 0.71 HTR2C (0.36)
SCHEMBL20116703 0.70 S1PR4 (0.55) S1PR4KDM4EMEN1KMT2ANPC1
SCHEMBL25937262 0.69 SCD (0.34) KDM4E
SCHEMBL25937264 0.69 S1PR5 (0.31)
SCHEMBL20325702 0.68 ROCK1 (0.43) KDM4EMEN1ALDH1A1KMT2AATM
SCHEMBL30564402 0.68 HPGD (0.38) S1PR4KDM4EMEN1ALDH1A1TP53
SCHEMBL25937316 0.68 MCHR1 (0.41) CYP19A1MCHR1
SCHEMBL23207657 0.67 HSD17B10 (0.39) KDM4EHCRTR2NPC1MAPTRAB9A

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 2 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-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 S1PR4 2246/4885ENPP2 3460/4885KDM4E 1925/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 S1PR4 2246/4885ENPP2 3460/4885KDM4E 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.