SCHEMBL15401262

SCHEMBL15401262

C=Cc1cncc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.39
LIPG Q9Y5X9 9/20 0.39
HDAC8 Q9BY41 1/20 0.37
FFAR1 O14842 1/20 0.34
F11 P03951 1/20 0.33
PTGS2 P35354 1/20 0.32
P4HB P07237 1/20 0.32
GRM5 P41594 1/20 0.32
P2RX7 Q99572 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PDGFRB P09619 1/20 0.30
KDR P35968 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
SCHEMBL522165 0.83 LIPG (0.39) LPLLIPGFFAR1F11P4HB
SCHEMBL30639721 0.83 LIPG (0.39) LPLLIPGFFAR1F11P4HB
SCHEMBL21734208 0.82 LPL (0.38) LPLLIPGFFAR1F11PTGS2
SCHEMBL12373176 0.82 LPL (0.44) LPLLIPGFFAR1F11P2RX7
SCHEMBL26071363 0.80 LIPG (0.44) LPLLIPGFFAR1F11P4HB
SCHEMBL26614723 0.80 LIPG (0.36) LPLLIPGFFAR1F11P4HB
SCHEMBL30639739 0.80 LIPG (0.36) LPLLIPGFFAR1F11P4HB
SCHEMBL20361743 0.78 LPL (0.35) LPLLIPGFFAR1F11P4HB
SCHEMBL20361741 0.78 LPL (0.35) LPLLIPGFFAR1F11P4HB
SCHEMBL29636295 0.76 LIPG (0.38) LPLLIPGFFAR1F11GSK3A

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-2867232-B1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2018-08-08 EP disclosed
US-9434725-B2 5-azaindazole compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2016-09-06 US disclosed
EP-2867232-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2015-05-06 EP disclosed
WO-2014001377-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2014-01-03 WO disclosed
US-20140005168-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE GENENTECH,INC. 2014-01-02 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 (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-20140005168-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 LPL 4819/4885LIPG 4443/4885HDAC8 773/4885

“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.