SCHEMBL12984834

SCHEMBL12984834

[CH2][C@H]1C[C@@H](n2ccc3c(N[C@H]4CC(C)(C)c5cc(Cl)ccc54)ncnc32)C[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 3/20 0.39
▸ CA2 P00918 2/20 0.39
▸ UBA3 Q8TBC4 2/20 0.39
▸ GRK5 P34947 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ UBA6 A0AVT1 1/20 0.39
▸ NEDD8 Q15843 1/20 0.39
▸ SAE1 Q9UBE0 1/20 0.39
▸ UBA2 Q9UBT2 1/20 0.39
▸ PRMT5 O14744 13/20 0.38
▸ WDR77 Q9BQA1 13/20 0.38
▸ PIP4K2A P48426 1/20 0.37
▸ METTL3 Q86U44 1/20 0.34
▸ METTL14 Q9HCE5 1/20 0.34

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
SCHEMBL12984837 0.91 UBA6 (0.43) NAE1CA2UBA3GRK5CSNK1A1
SCHEMBL17865981 0.85 NAE1 (0.47) NAE1CA2UBA3GRK5CSNK1A1
SCHEMBL17865982 0.85 NAE1 (0.41) NAE1CA2UBA3GRK5CSNK1A1
SCHEMBL191755 0.83 NAE1 (0.63) NAE1CA2UBA3GRK5CSNK1A1
SCHEMBL10233944 0.76 NAE1 (0.48) NAE1CA2UBA3GRK5CSNK1A1
SCHEMBL17866051 0.75 NAE1 (0.51) NAE1CA2UBA3GRK5CSNK1A1
SCHEMBL17866060 0.75 NAE1 (0.51) NAE1CA2UBA3GRK5CSNK1A1
SCHEMBL10005034 0.75 NAE1 (0.44) NAE1CA2UBA3GRK5CSNK1A1
SCHEMBL17866047 0.75 PPARG (0.42) UBA6PRMT5WDR77PIP4K2AMETTL3
SCHEMBL17866040 0.75 PRMT5 (0.45) NAE1CA2UBA3GRK5CSNK1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 — — EP claimed
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 — — US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 — — US disclosed
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES MILLENNIUM PHARM INC (US) 2013-10-31 — — US disclosed
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 — — US disclosed
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENIUM PHARMACEUTICALS, INC. (US) 2012-10-11 — — US disclosed
US-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-11 — — 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 (6 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-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 NAE1 41/4885CA2 3826/4885UBA3 12/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 NAE1 41/4885CA2 3826/4885UBA3 12/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 NAE1 41/4885CA2 3826/4885UBA3 12/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 NAE1 41/4885CA2 3826/4885UBA3 12/4885
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 NAE1 41/4885CA2 3826/4885UBA3 12/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 NAE1 75/4885CA2 3434/4885UBA3 19/4885

“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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