SCHEMBL13170705

SCHEMBL13170705

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

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ UBA6 A0AVT1 4/20 0.43
▸ PRMT5 O14744 16/20 0.38
▸ WDR77 Q9BQA1 8/20 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
SCHEMBL13170707 0.89 UBA6 (0.42) UBA6PRMT5WDR77
SCHEMBL16943626 0.86 UBA6 (0.42) UBA6PRMT5WDR77
SCHEMBL13170714 0.81 NAE1 (0.49) UBA6
SCHEMBL25048671 0.79 UBA6 (0.42) UBA6PRMT5WDR77
SCHEMBL10186224 0.79 UBA6 (0.42) UBA6PRMT5WDR77
SCHEMBL13170761 0.76 AHCY (0.54) PRMT5WDR77
SCHEMBL16943624 0.75 UBA6 (0.41) UBA6PRMT5WDR77
SCHEMBL13170758 0.73 PRMT5 (0.36) PRMT5WDR77
SCHEMBL17866020 0.73 UBA6 (0.43) UBA6PRMT5WDR77
SCHEMBL13170755 0.72 ADK (0.47) UBA6PRMT5WDR77

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 UBA6 728/4885PRMT5 870/4885WDR77 2632/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 UBA6 728/4885PRMT5 870/4885WDR77 2632/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 UBA6 728/4885PRMT5 870/4885WDR77 2632/4885
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 UBA6 728/4885PRMT5 870/4885WDR77 2632/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 UBA6 802/4885PRMT5 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.

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