SCHEMBL25937392

SCHEMBL25937392

Cc1cc(F)c(C(=O)CC#N)c(O[C@@H]2CC[C@@H](C)C2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
ACACB O00763 2/20 0.33
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP19A1 P11511 1/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
MCHR1 Q99705 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
SCHEMBL24977756 0.80 PIK3CD (0.37)
SCHEMBL25937375 0.76 GPR6 (0.36) SMN1; SMN2CYP19A1MCHR1
SCHEMBL27280636 0.70 RET (0.32)
SCHEMBL21939450 0.67 SCN9A (0.40)
SCHEMBL27280475 0.65 SCN9A (0.44)
SCHEMBL25937394 0.64 MCHR1 (0.36) CYP19A1MCHR1
SCHEMBL11346017 0.63 KCNH2 (0.43) LMNASMN1; SMN2
SCHEMBL12694522 0.63 KMT2A (0.40) LMNATSHRHTTSMN1; SMN2
SCHEMBL12709975 0.61 CYP3A4 (0.39) LMNATSHRHTTSMN1; SMN2CYP19A1
SCHEMBL8089641 0.61 RORC (0.40) LMNATSHRSMN1; 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 GRIN1 4114/4885GRIN2B 4709/4885ACACB 1223/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 GRIN1 4114/4885GRIN2B 4709/4885ACACB 1223/4885

“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.