SCHEMBL1947419

SCHEMBL1947419

OC[C@H]1C[C@@H](n2ccc3c(Cl)ncnc32)C[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UBA6 A0AVT1 5/20 0.41
NAE1 Q13564 2/20 0.41
CA2 P00918 2/20 0.41
GRK5 P34947 1/20 0.41
CSNK1A1 P48729 1/20 0.41
NEDD8 Q15843 1/20 0.41
UBA3 Q8TBC4 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
NNMT P40261 6/20 0.38
TK1 P04183 1/20 0.38

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
SCHEMBL936138 1.00 UBA6 (0.41) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL18589317 1.00 UBA6 (0.41) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL1795550 0.90 UBA6 (0.40) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL23892218 0.88 PRMT5 (0.47) UBA6NAE1PRMT5WDR77NNMT
SCHEMBL16943624 0.86 UBA6 (0.41) UBA6PRMT5WDR77NNMT
SCHEMBL191943 0.85 ADK (0.48) PRMT5WDR77
SCHEMBL10186224 0.85 UBA6 (0.42) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL25048671 0.85 UBA6 (0.42) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL19563037 0.85 ADK (0.48) PRMT5WDR77
SCHEMBL16769947 0.83 PRMT5 (0.44) UBA6PRMT5WDR77NNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 US disclosed
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-19 US disclosed
EP-1848718-B1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2012-08-01 EP disclosed
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 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 (4 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-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 UBA6 728/4885NAE1 41/4885CA2 3826/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 UBA6 4411/4885NAE1 2945/4885CA2 3232/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 UBA6 728/4885NAE1 41/4885CA2 3826/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 UBA6 4411/4885NAE1 2945/4885CA2 3232/4885

“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.