SCHEMBL13170755

SCHEMBL13170755

CC[C@@H]1C[C@@H](n2ccc3c(N)ncnc32)C[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.47
PRMT5 O14744 14/20 0.47
WDR77 Q9BQA1 8/20 0.47
METTL3 Q86U44 3/20 0.46
AHCY P23526 1/20 0.45
UBA6 A0AVT1 1/20 0.44

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
SCHEMBL19563037 0.89 ADK (0.48) ADKPRMT5WDR77METTL3AHCY
SCHEMBL191943 0.89 ADK (0.48) ADKPRMT5WDR77METTL3AHCY
SCHEMBL192357 0.82 PRMT5 (0.45) ADKPRMT5WDR77METTL3UBA6
SCHEMBL17875227 0.81 NAE1 (0.62) UBA6
SCHEMBL192379 0.81 NAE1 (0.62) UBA6
SCHEMBL13314384 0.77 ADK (0.53) ADKPRMT5WDR77METTL3
SCHEMBL25048671 0.77 UBA6 (0.42) PRMT5WDR77UBA6
SCHEMBL10186224 0.77 UBA6 (0.42) PRMT5WDR77UBA6
SCHEMBL18572688 0.77 PRMT5 (0.62) PRMT5WDR77METTL3
SCHEMBL17875209 0.75 UBA6 (0.52) METTL3UBA6

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-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 (5 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 ADK 1068/4885PRMT5 870/4885WDR77 2632/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 ADK 1068/4885PRMT5 870/4885WDR77 2632/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 ADK 1068/4885PRMT5 870/4885WDR77 2632/4885
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 ADK 1068/4885PRMT5 870/4885WDR77 2632/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 ADK 1026/4885PRMT5 822/4885WDR77 2267/4885

“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.