SCHEMBL24977756

SCHEMBL24977756

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.37
DRD2 P14416 3/20 0.36
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
CTSK P43235 2/20 0.35
RORC P51449 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
BTK Q06187 1/20 0.34
KCNA3 P22001 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
KAT6A Q92794 1/20 0.34
KAT5 Q92993 1/20 0.34
KDM4D Q6B0I6 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL30634788 0.82 PIK3CD (0.42) PIK3CDDRD2JAK2JAK1CTSK
SCHEMBL31507320 0.82 PIK3CD (0.42) PIK3CDDRD2JAK2JAK1CTSK
SCHEMBL27280636 0.82 RET (0.32) CTSKRORCAAK1BTKKCNA3
SCHEMBL25937392 0.80 GRIN1 (0.35)
SCHEMBL24977611 0.80 GPR6 (0.37) PIK3CDDRD2JAK2JAK1CTSK
SCHEMBL30634797 0.78 PIK3CD (0.38) PIK3CDDRD2JAK2JAK1CTSK
SCHEMBL31507332 0.78 PIK3CD (0.38) PIK3CDDRD2JAK2JAK1CTSK
SCHEMBL30634777 0.78 PIK3CD (0.40) PIK3CDDRD2JAK2JAK1BTK
SCHEMBL31507323 0.78 PIK3CD (0.40) PIK3CDDRD2JAK2JAK1BTK
SCHEMBL24977758 0.74 PIK3CD (0.37) PIK3CDJAK2JAK1AAK1BTK

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527790-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2026-01-20 US disclosed
EP-4347582-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF Boundless Bio, Inc. (US) 2024-04-10 EP disclosed
CN-117715905-A Checkpoint kinase 1 (CHK 1) inhibitors and uses thereof 无界生物公司 2024-03-15 CN disclosed
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
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
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US disclosed
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-01-26 US disclosed
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-01-26 US disclosed
WO-2022251502-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. (US) 2022-12-01 WO 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 (4 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 PIK3CD 836/4885DRD2 4867/4885JAK2 1805/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 PIK3CD 836/4885DRD2 4867/4885JAK2 1805/4885
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 PIK3CD 836/4885DRD2 4867/4885JAK2 1805/4885
US-12527790-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, RAD1, CHEK2 PIK3CD 934/4885DRD2 1882/4885JAK2 3157/4885

“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.