SCHEMBL794499

SCHEMBL794499

CC1(C)OB(c2ccc3c(C=O)nn(C(=O)O)c3c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
LIPG Q9Y5X9 4/20 0.35
LPL P06858 3/20 0.35
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
F2 P00734 2/20 0.34
F11 P03951 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
ROCK1 Q13464 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CSF1R P07333 1/20 0.32
FFAR1 O14842 1/20 0.32
HIF1A Q16665 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
DGAT1 O75907 1/20 0.31

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
SCHEMBL794482 0.85 PRMT5 (0.43) P4HBIRAK4PRMT5WDR77F2
SCHEMBL793617 0.84 IRAK4 (0.40) P4HBIRAK4LIPGLPLPRMT5
SCHEMBL27080273 0.83 IRAK4 (0.38) P4HBIRAK4LIPGLPLPRMT5
SCHEMBL1335534 0.77 IDO1 (0.40) P4HBIRAK4LIPGLPLPRMT5
SCHEMBL14493360 0.75 PRMT5 (0.36) P4HBIRAK4LIPGLPLPRMT5
SCHEMBL25259623 0.75 PRMT5 (0.37) P4HBIRAK4LIPGLPLPRMT5
SCHEMBL17310541 0.74 BACE1 (0.47) P4HBIRAK4LIPGPRMT5WDR77
SCHEMBL23783178 0.74 CSF1R (0.36) P4HBIRAK4LIPGLPLPRMT5
SCHEMBL6125749 0.73 IRAK4 (0.54) P4HBIRAK4LIPGLPLF2
SCHEMBL12502231 0.72 ROCK1 (0.35) P4HBIRAK4LIPGLPLPRMT5

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 3 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
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 P4HB 4858/4885IRAK4 35/4885LIPG 4175/4885

“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.