SCHEMBL25937386

SCHEMBL25937386

COc1c(C)ccc(O[C@@H]2CC[C@H](C)C2)c1-c1cc(N)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.40
HSD17B10 Q99714 2/20 0.38
DYRK1A Q13627 1/20 0.36
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CHEK1 O14757 3/20 0.33
KCNH2 Q12809 3/20 0.33
ABL1 P00519 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL30101520 0.79 BTK (0.40)
SCHEMBL24978200 0.79 BTK (0.40)
SCHEMBL25937400 0.76 MCHR1 (0.39) MCHR1HSD17B10DYRK1AGAASMN1; SMN2
SCHEMBL25937389 0.76 CHEK1 (0.61) CHEK1KCNH2FLT3
SCHEMBL25937377 0.73 MCHR1 (0.35) MCHR1
SCHEMBL25937383 0.69 DRD2 (0.37) MCHR1GAA
SCHEMBL30101651 0.68 CHEK1 (0.74) CHEK1KCNH2FLT3
SCHEMBL24977596 0.68 CHEK1 (0.74) CHEK1KCNH2FLT3
SCHEMBL26670663 0.67 CHEK1 (0.35) HSD17B10DYRK1ACHEK1KCNH2
SCHEMBL25937211 0.63 DRD2 (0.36) MCHR1GAASMN1; 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 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 4279/4885HSD17B10 3575/4885DYRK1A 905/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 MCHR1 4279/4885HSD17B10 3575/4885DYRK1A 905/4885

“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.