SCHEMBL29684220

SCHEMBL29684220

NC(=O)c1cnc(C2=CCOCC2)o1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.39
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ HASPIN Q8TF76 1/20 0.36
▸ CDK19 Q9BWU1 1/20 0.36
▸ SYK P43405 3/20 0.36
▸ IKBKE Q14164 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ PIK3CA P42336 5/20 0.34
▸ PIK3CD O00329 4/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ GCK P35557 1/20 0.32

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
SCHEMBL19556011 0.86 IKBKE (0.38) CYP11B2CCNCCDK8HASPINCDK19
SCHEMBL19556453 0.78 NLRP3 (0.43) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31706099 0.73 NLRP3 (0.39) PIK3CAPIK3CDMAPK1
SCHEMBL29684304 0.72 NNMT (0.44) CYP11B2CCNCCDK8HASPINCDK19
SCHEMBL17200047 0.65 — —
SCHEMBL15123017 0.65 — —
SCHEMBL30308899 0.65 MAP2K3 (0.50) CYP11B2CCNCCDK8HASPINCDK19
SCHEMBL25721091 0.65 MAP2K3 (0.50) CYP11B2CCNCCDK8HASPINCDK19
SCHEMBL16719110 0.65 CYP11B2 (0.38) CYP11B2CCNCCDK8HASPINCDK19
SCHEMBL16432670 0.65 CYP11B2 (0.40) CYP11B2CCNCCDK8HASPINCDK19

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-20220106281-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-07 — — 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-20220106281-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 CYP11B2 326/4885CCNC 2477/4885CDK8 686/4885

“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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