SCHEMBL25408853

SCHEMBL25408853

Cn1ncc(NC(=O)OC(C)(C)C)c1C=C(CC#N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.35
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ CTSS P25774 6/20 0.33
▸ CTSK P43235 4/20 0.33
▸ TTK P33981 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ ITGA4 P13612 1/20 0.32
▸ ITGB7 P26010 1/20 0.32
▸ EGLN2 Q96KS0 2/20 0.32
▸ BRD9 Q9H8M2 1/20 0.31
▸ NTRK1 P04629 1/20 0.31

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
SCHEMBL24255781 0.88 AR (0.33) ARGSK3BDYRK1AMAPK14TTK
SCHEMBL27078324 0.77 CYP17A1 (0.38) CTSSCTSKCTSLCTSB
SCHEMBL6133253 0.76 MAPK14 (0.40) GSK3BDYRK1AMAPK14CNR2ITGA4
SCHEMBL6133366 0.75 BRD9 (0.35) GSK3BDYRK1AMAPK14CNR2ITGA4
SCHEMBL6133365 0.75 BRD9 (0.35) GSK3BDYRK1AMAPK14CNR2ITGA4
SCHEMBL28847399 0.74 MAPK14 (0.35) GSK3BDYRK1AMAPK14CNR2ITGA4
SCHEMBL20262308 0.71 MAPK14 (0.37) GSK3BDYRK1AMAPK14CNR2ITGA4
SCHEMBL20262310 0.71 MAPK14 (0.37) GSK3BDYRK1AMAPK14CNR2ITGA4
SCHEMBL25405967 0.70 CA12 (0.35) —
SCHEMBL2173526 0.70 MAPK1 (0.41) GSK3BDYRK1AMAPK14CNR2BRD9

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 1 patent. 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

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 AR 2796/4885GSK3B 1804/4885DYRK1A 3178/4885

“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.

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