SCHEMBL21283393

SCHEMBL21283393

CC[C@@H](C)[C@@H](O)Cn1ccc2c(N[C@@H]3c4ccccc4C[C@@H]3O)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ NAE1 Q13564 6/20 0.40
▸ UBA3 Q8TBC4 5/20 0.40
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CA2 P00918 2/20 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
▸ SAE1 Q9UBE0 1/20 0.35
▸ UBA2 Q9UBT2 1/20 0.35
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ MMP1 P03956 2/20 0.33

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
SCHEMBL21283361 0.89 CRHR1 (0.39) AURKARPS6KB1NAE1UBA3CA2
SCHEMBL21283396 0.75 NAE1 (0.42) AURKARPS6KB1NAE1UBA3CA2
SCHEMBL21283366 0.75 NAE1 (0.42) AURKARPS6KB1NAE1UBA3CA2
SCHEMBL21283412 0.75 NAE1 (0.35) AURKARPS6KB1NAE1UBA3CA2
SCHEMBL21283355 0.75 NAE1 (0.35) AURKARPS6KB1NAE1UBA3CA2
SCHEMBL21283356 0.75 NAE1 (0.35) AURKARPS6KB1NAE1UBA3CA2
SCHEMBL21283375 0.75 NAE1 (0.35) AURKARPS6KB1NAE1UBA3CA2
SCHEMBL21283394 0.74 NAE1 (0.39) AURKARPS6KB1NAE1UBA3CA2
SCHEMBL21283411 0.71 FFAR1 (0.32) NAE1UBA3CYP2C9CA2GRK5
SCHEMBL17866029 0.70 NAE1 (0.49) AURKARPS6KB1NAE1UBA3CYP3A4

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 AURKA 1673/4885RPS6KB1 440/4885NAE1 41/4885

“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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