SCHEMBL25937253

SCHEMBL25937253

Cc1cc(Br)c(O[C@@H]2CC[C@H](C)C2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.36
SCD O00767 1/20 0.36
KDM1A O60341 2/20 0.36
KDM1B Q8NB78 1/20 0.36
AR P10275 1/20 0.32
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL25937262 0.82 SCD (0.34) SCDKDM1AKDM1BAR
SCHEMBL25937298 0.77 MCHR1 (0.40) MCHR1SCD
SCHEMBL21955116 0.73 SCD (0.55) SCDKDM1AKDM1BAR
SCHEMBL30901253 0.73 SCD (0.55) SCDKDM1AKDM1BAR
SCHEMBL15696647 0.73 MCHR1 (0.44) MCHR1SCD
SCHEMBL25937270 0.72 MCHR1 (0.36) MCHR1HTR2CHTR2B
SCHEMBL25937275 0.72 MCHR1 (0.36) MCHR1HTR2CHTR2B
SCHEMBL25937272 0.72 MCHR1 (0.40) MCHR1KDM1AHTR2CHTR2B
SCHEMBL25937260 0.72 MCHR1 (0.40) MCHR1KDM1AHTR2CHTR2B
SCHEMBL8762787 0.71 PPOX (0.37)

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 MCHR1 4279/4885SCD 2737/4885KDM1A 1547/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 MCHR1 4279/4885SCD 2737/4885KDM1A 1547/4885

“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.