SCHEMBL24255779

SCHEMBL24255779

Cn1ncc(NC(=O)OC(C)(C)C)c1CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
MAPK14 Q16539 1/20 0.37
RORC P51449 2/20 0.36
CNR2 P34972 1/20 0.36
CYP17A1 P05093 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
IDO1 P14902 2/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
NAMPT P43490 1/20 0.34
METAP1 P53582 1/20 0.34
BRD4 O60885 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SCD O00767 1/20 0.34
ATR Q13535 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
SCHEMBL6133027 0.85 ALDH1A1 (0.46) NAMPTKDM4ELMNA
SCHEMBL6133119 0.85 ITGA4 (0.38) GSK3BDYRK1AMAPK14CNR2CYP17A1
SCHEMBL20262397 0.82 ITGA4 (0.36) GSK3BDYRK1AMAPK14CNR2CYP17A1
SCHEMBL6133004 0.81 LMNA (0.38) GSK3BDYRK1AMAPK14CNR2BRD9
SCHEMBL2173526 0.81 MAPK1 (0.41) GSK3BDYRK1AMAPK14RORCCNR2
SCHEMBL18283999 0.79 CYP17A1 (0.39) GSK3BDYRK1AMAPK14CNR2CYP17A1
SCHEMBL22322779 0.79 CNR2 (0.40) GSK3BDYRK1AMAPK14CNR2CYP17A1
SCHEMBL22952416 0.79 GSK3B (0.39) GSK3BDYRK1AMAPK14CNR2CYP17A1
SCHEMBL23009294 0.79 ATR (0.40) GSK3BDYRK1AMAPK14BRD9IDO1
SCHEMBL18366036 0.79 GSK3B (0.39) GSK3BDYRK1AMAPK14CNR2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263903-A1 PYRAZOLOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2023-08-24 US disclosed
US-20230263903-A1 PYRAZOLOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2023-08-24 US disclosed
US-20230263903-A1 PYRAZOLOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2023-08-24 US disclosed
WO-2022036101-A1 PYRAZOLOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2022-02-17 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 (1 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-20230263903-A1 PYRAZOLOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF KCNJ5, IL5, CYP3A5 GSK3B 1804/4885DYRK1A 3178/4885MAPK14 2529/4885

“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.