SCHEMBL13170765

SCHEMBL13170765

CC[C@@H]1O[C@@H](n2ccc3c(C)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 17/20 0.47
▸ WDR77 Q9BQA1 17/20 0.47
▸ PI4KA P42356 1/20 0.46
▸ PI4K2B Q8TCG2 1/20 0.46
▸ PI4K2A Q9BTU6 1/20 0.46
▸ PI4KB Q9UBF8 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL18026198 1.00 PRMT5 (0.47) PRMT5WDR77PI4KAPI4K2BPI4K2A
SCHEMBL18009834 0.90 PI4KA (0.58) PRMT5WDR77PI4KAPI4K2BPI4K2A
SCHEMBL18009818 0.90 PI4KA (0.58) PRMT5WDR77PI4KAPI4K2BPI4K2A
SCHEMBL18026201 0.88 PI4KA (0.45) PRMT5WDR77PI4KAPI4K2BPI4K2A
SCHEMBL18009709 0.87 PRMT5 (0.43) PRMT5WDR77PI4KAPI4K2BPI4K2A
SCHEMBL18026299 0.85 PI4KA (0.38) PRMT5WDR77PI4KAPI4K2BPI4K2A
SCHEMBL18026297 0.85 PI4KA (0.43) PRMT5WDR77PI4KAPI4K2BPI4K2A
SCHEMBL26558035 0.85 PRMT5 (0.47) PRMT5WDR77
SCHEMBL18026301 0.84 PRMT5 (0.45) PRMT5WDR77PI4KAPI4K2BPI4K2A
SCHEMBL18009671 0.84 PRMT5 (0.45) PRMT5WDR77PI4KAPI4K2BPI4K2A

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 PRMT5 870/4885WDR77 2632/4885PI4KA 1991/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 PRMT5 870/4885WDR77 2632/4885PI4KA 1991/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 PRMT5 870/4885WDR77 2632/4885PI4KA 1991/4885
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 PRMT5 870/4885WDR77 2632/4885PI4KA 1991/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 PRMT5 822/4885WDR77 2267/4885PI4KA 2210/4885

“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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