SCHEMBL21283387

SCHEMBL21283387

CC[C@@H](COS(N)(=O)=O)[C@@H](O)Cn1ccc2c(NCc3ccccc3OC)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ AURKA O14965 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ LMNA P02545 5/20 0.43
▸ MAPK1 P28482 5/20 0.43
▸ TP53 P04637 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TNF P01375 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL21283371 0.84 POLB (0.39) AURKARPS6KB1POLBKMT2APDE5A
SCHEMBL21283359 0.83 RXFP1 (0.37) KDM4ELMNATP53POLBADORA3
SCHEMBL18872635 0.81 AURKA (0.42) AURKARPS6KB1MEN1KMT2A
SCHEMBL21283373 0.80 ACACB (0.36) AURKARPS6KB1CLK4
SCHEMBL21283406 0.79 ATG7 (0.35) RPS6KB1ADORA2AADORA1CLK4
SCHEMBL18872643 0.77 NAE1 (0.45) MAPK1
SCHEMBL21283396 0.76 NAE1 (0.42) AURKARPS6KB1
SCHEMBL21283372 0.76 NAE1 (0.42) —
SCHEMBL21283366 0.76 NAE1 (0.42) AURKARPS6KB1
SCHEMBL18626352 0.76 UBA6 (0.49) —

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-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 — — 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-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 KDM4E 1307/4885AURKA 1673/4885RPS6KB1 440/4885

“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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