SCHEMBL793442

SCHEMBL793442

CC1(C)OB(c2ccc3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.41
LPL P06858 8/20 0.41
IRAK4 Q9NWZ3 1/20 0.38
ROCK1 Q13464 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
EGFR P00533 2/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
P4HB P07237 1/20 0.33
BACE1 P56817 1/20 0.32
SNCA P37840 1/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL15574528 0.90 LIPG (0.41) LIPGLPLIRAK4ROCK1IDO1
SCHEMBL26043534 0.81 LPL (0.37) LIPGLPLIRAK4
SCHEMBL3044285 0.78 LPL (0.41) LIPGLPLIRAK4ROCK1IDO1
SCHEMBL19564598 0.76 LPL (0.40) LIPGLPLIRAK4ROCK1IDO1
SCHEMBL15332992 0.76 SLC9A1 (0.42) LIPGLPLIRAK4IDO1TDO2
SCHEMBL30976705 0.76 HPGD (0.42) LIPGLPLIRAK4IDO1TDO2
SCHEMBL29305746 0.75 IRAK4 (0.43) LIPGLPLIRAK4IDO1TDO2
SCHEMBL31636018 0.74 LPL (0.40) LIPGLPLIRAK4ROCK1IDO1
SCHEMBL3040210 0.73 LPL (0.41) LIPGLPLIRAK4ROCK1IDO1
SCHEMBL26390707 0.72 LPL (0.38) LIPGLPLIRAK4ROCK1IDO1

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 6 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
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 LIPG 4175/4885LPL 4337/4885IRAK4 35/4885

“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.