SCHEMBL24978460

SCHEMBL24978460

Cc1cc(F)c(-c2cc(N)n[nH]2)c(O[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
AURKA O14965 6/20 0.35
PDPK1 O15530 6/20 0.35
AURKB Q96GD4 6/20 0.35
BTK Q06187 5/20 0.34
PARP1 P09874 1/20 0.34
RET P07949 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNG3 O60359 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNB3 P54284 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
SCHEMBL30101588 1.00 PIK3CD (0.36) PIK3CDAURKAPDPK1AURKBBTK
SCHEMBL30634798 0.85 PIK3CD (0.38) PIK3CDAURKAPDPK1AURKBBTK
SCHEMBL27280638 0.82 MAPK1 (0.34) AURKAPDPK1AURKB
SCHEMBL24936165 0.82 CHEK1 (0.46) PIK3CDAURKAPDPK1AURKBBTK
SCHEMBL30954377 0.82 MAPK1 (0.34) AURKAPDPK1AURKB
SCHEMBL30954378 0.82 MAPK1 (0.34) AURKAPDPK1AURKB
SCHEMBL24978200 0.82 BTK (0.40) PIK3CDAURKAPDPK1AURKBBTK
SCHEMBL30101520 0.82 BTK (0.40) PIK3CDAURKAPDPK1AURKBBTK
SCHEMBL30101711 0.82 AURKA (0.33) AURKAPDPK1AURKB
SCHEMBL30634769 0.80 JAK1 (0.39) PIK3CDAURKAPDPK1AURKBBTK

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 3 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
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-01-26 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 (3 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 836/4885AURKA 25/4885PDPK1 47/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 PIK3CD 836/4885AURKA 25/4885PDPK1 47/4885
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 PIK3CD 836/4885AURKA 25/4885PDPK1 47/4885

“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.