SCHEMBL25937375

SCHEMBL25937375

COc1c(C)ccc(O[C@@H]2CC[C@H](C)C2)c1C(=O)CC#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 2/20 0.36
DRD2 P14416 1/20 0.35
PDE4B Q07343 6/20 0.33
CYP19A1 P11511 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
MCHR1 Q99705 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE4D Q08499 3/20 0.31
PDE4A P27815 2/20 0.31
PDE4C Q08493 2/20 0.31
CNR1 P21554 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
SCHEMBL25937383 0.82 DRD2 (0.37) GPR6DRD2PDE4BCYP19A1MCHR1
SCHEMBL24977611 0.80 GPR6 (0.37) GPR6DRD2PDE4BKMT2A
SCHEMBL25937392 0.76 GRIN1 (0.35) CYP19A1MCHR1SMN1; SMN2
SCHEMBL25937378 0.75 MAPT (0.40) GPR6DRD2CYP19A1MEN1MAPT
SCHEMBL25937211 0.74 DRD2 (0.36) DRD2PDE4BCYP19A1MEN1MAPT
SCHEMBL25937377 0.65 MCHR1 (0.35) MCHR1
SCHEMBL25937209 0.64 TAS1R3 (0.38) DRD2PDE4BCYP19A1MAPTKMT2A
SCHEMBL25792329 0.63 CA12 (0.47) MEN1MAPTKMT2ACYP1A2CYP2C19
SCHEMBL24977609 0.62 KDM1A (0.40) GPR6DRD2PDE4BKMT2A
SCHEMBL25937243 0.61 MCHR1 (0.39) CYP19A1MCHR1

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 GPR6 3985/4885DRD2 4867/4885PDE4B 2848/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 GPR6 3985/4885DRD2 4867/4885PDE4B 2848/4885

“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.