SCHEMBL21283355

SCHEMBL21283355

CC[C@@H](C)[C@@H](O)Cn1ccc2c(N[C@@H]3CCc4c(Cl)cccc43)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ GRK5 P34947 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ UBA6 A0AVT1 1/20 0.35
▸ NEDD8 Q15843 1/20 0.35
▸ UBA3 Q8TBC4 1/20 0.35
▸ SAE1 Q9UBE0 1/20 0.35
▸ UBA2 Q9UBT2 1/20 0.35
▸ PRMT5 O14744 2/20 0.34
▸ WDR77 Q9BQA1 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.31
▸ PIP4K2A P48426 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
SCHEMBL21283412 1.00 NAE1 (0.35) NAE1CA2PDE10AGRK5CSNK1A1
SCHEMBL21283375 0.90 NAE1 (0.35) NAE1CA2PDE10AGRK5CSNK1A1
SCHEMBL21283411 0.81 FFAR1 (0.32) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL21283356 0.80 NAE1 (0.35) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL21283393 0.75 AURKA (0.45) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL18872371 0.75 NAE1 (0.46) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL21283361 0.73 CRHR1 (0.39) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL21283385 0.71 NAE1 (0.52) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL18872378 0.71 NAE1 (0.52) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17866060 0.71 NAE1 (0.51) NAE1CA2GRK5CSNK1A1UBA6

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 NAE1 41/4885CA2 3826/4885PDE10A 3813/4885

“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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