SCHEMBL794482

SCHEMBL794482

CC(C)(C)OC(=O)n1nc(C=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 2/20 0.43
USP30 Q70CQ3 2/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
AAK1 Q2M2I8 2/20 0.36
DGAT1 O75907 1/20 0.34
HIF1A Q16665 2/20 0.33
FFAR1 O14842 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
MAP2K4 P45985 1/20 0.32
CSF1R P07333 1/20 0.31
P4HB P07237 1/20 0.31
ROCK1 Q13464 1/20 0.31
F2 P00734 1/20 0.31
F11 P03951 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
CA1 P00915 1/20 0.30

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
SCHEMBL152838 0.86 PRMT5 (0.45) PRMT5WDR77USP30BACE1BACE2
SCHEMBL794499 0.85 P4HB (0.37) PRMT5WDR77DGAT1HIF1AFFAR1
SCHEMBL24137829 0.84 PRMT5 (0.43) PRMT5WDR77USP30BACE1BACE2
SCHEMBL15077339 0.84 PRMT5 (0.43) PRMT5WDR77USP30BACE1BACE2
SCHEMBL15077317 0.84 PRMT5 (0.43) PRMT5WDR77USP30BACE1BACE2
SCHEMBL13718127 0.83 PRMT5 (0.43) PRMT5WDR77USP30BACE1BACE2
SCHEMBL149142 0.83 PRMT5 (0.47) PRMT5WDR77USP30BACE1BACE2
SCHEMBL25935774 0.82 PRMT5 (0.42) PRMT5WDR77USP30BACE1BACE2
SCHEMBL1317502 0.82 BACE1 (0.47) PRMT5WDR77USP30BACE1BACE2
SCHEMBL792989 0.80 ELANE (0.43) PRMT5WDR77AAK1F2

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
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO 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 (1 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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 PRMT5 1471/4885WDR77 2999/4885USP30 911/4885

“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.