SCHEMBL793617

SCHEMBL793617

Cc1nn(C(=O)O)c2cc(B3OC(C)(C)C(C)(C)O3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
LIPG Q9Y5X9 4/20 0.37
LPL P06858 3/20 0.37
P4HB P07237 1/20 0.36
CSF1R P07333 1/20 0.36
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
F2 P00734 2/20 0.36
F11 P03951 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
ROCK1 Q13464 1/20 0.35
ELANE P08246 1/20 0.35
DGAT1 O75907 1/20 0.35
HIF1A Q16665 1/20 0.35
KMO O15229 1/20 0.34
GSK3A P49840 1/20 0.33

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
SCHEMBL794499 0.84 P4HB (0.37) IRAK4IDO1TDO2LIPGLPL
SCHEMBL152838 0.83 PRMT5 (0.45) IRAK4IDO1TDO2CSF1RPRMT5
SCHEMBL31651744 0.80 ADORA2A (0.46) IRAK4IDO1TDO2LIPGLPL
SCHEMBL25259623 0.78 PRMT5 (0.37) IRAK4IDO1TDO2LIPGLPL
SCHEMBL17310541 0.77 BACE1 (0.47) IRAK4IDO1TDO2LIPGP4HB
SCHEMBL23783178 0.77 CSF1R (0.36) IRAK4IDO1TDO2LIPGLPL
SCHEMBL30483073 0.76 LIPG (0.46) IRAK4IDO1TDO2LIPGLPL
SCHEMBL6125749 0.75 IRAK4 (0.54) IRAK4IDO1TDO2LIPGLPL
SCHEMBL30895264 0.75 IRAK4 (0.40) IRAK4IDO1TDO2LIPGLPL
SCHEMBL21025774 0.74 IRAK4 (0.40) IRAK4IDO1TDO2LIPGLPL

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 IRAK4 35/4885IDO1 160/4885TDO2 2320/4885

“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.