SCHEMBL22579093

SCHEMBL22579093

Cc1ccc(-c2nc(N)c(CNC(=O)OC(C)(C)C)nc2Cl)o1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 8/20 0.48
▸ ADORA2A P29274 8/20 0.43
▸ ADORA1 P30542 8/20 0.43
▸ ATR Q13535 1/20 0.37
▸ LMNA P02545 1/20 0.36

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
SCHEMBL22579095 0.81 ADORA2A (0.51) MAPKAPK2ADORA2AADORA1ATR
SCHEMBL22551940 0.76 MAPKAPK2 (0.42) MAPKAPK2ATR
SCHEMBL22579094 0.75 KDM4E (0.38) ADORA2AADORA1
SCHEMBL22579103 0.73 ADORA2A (0.45) ADORA2AADORA1LMNA
SCHEMBL13680609 0.71 HDAC1 (0.47) ATRLMNA
SCHEMBL21722802 0.70 KDM4E (0.36) ADORA2AADORA1
SCHEMBL3028012 0.70 PKM (0.45) —
SCHEMBL11927607 0.67 MAPKAPK2 (0.57) MAPKAPK2
SCHEMBL24423243 0.65 STK17B (0.50) MAPKAPK2ATRLMNA
SCHEMBL22552136 0.65 MAPKAPK2 (0.43) MAPKAPK2ADORA2A

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-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-10-22 — — 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-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 MAPKAPK2 1351/4885ADORA2A 1/4885ADORA1 3/4885

“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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