SCHEMBL717170

SCHEMBL717170

Cc1ccc(S(=O)(=O)n2ncc3c(-c4nnn[nH]4)cc(-c4cccc5[nH]ccc45)cc32)cc1.O=S(=O)(c1ccccc1)n1ncc2c(-c3nnn[nH]3)cc(-c3cccc4[nH]ccc34)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
SLC9A1 P19634 1/20 0.34
HTR6 P50406 3/20 0.34
ATR Q13535 5/20 0.34
ATRIP Q8WXE1 4/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PIK3CD O00329 4/20 0.33
PIK3CB P42338 3/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
PIK3CG P48736 2/20 0.31
PIM1 P11309 1/20 0.31
PIK3CA P42336 1/20 0.31
GSK3B P49841 1/20 0.31
CHEK1 O14757 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGDS O60760 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
SCHEMBL470165 0.98 PIP4K2A (0.36) PIP4K2APIP4K2BPIP4K2CSLC9A1HTR6
SCHEMBL470164 0.95 HTR6 (0.37) PIP4K2APIP4K2BPIP4K2CSLC9A1HTR6
SCHEMBL715407 0.81 PIP4K2A (0.38) PIP4K2APIP4K2BPIP4K2CSLC9A1ATR
SCHEMBL459027 0.78 HTR6 (0.41) PIP4K2APIP4K2BPIP4K2CHTR6ATR
SCHEMBL463569 0.78 HTR6 (0.39) PIP4K2APIP4K2BPIP4K2CHTR6ATR
SCHEMBL713193 0.77 SLC9A1 (0.36) SLC9A1HTR6NR1H2NR1H3
SCHEMBL470151 0.75 HTR6 (0.42) SLC9A1HTR6
SCHEMBL716071 0.75 ATR (0.35) PIP4K2APIP4K2BPIP4K2CHTR6ATR
SCHEMBL1251685 0.74 PIK3CD (0.39) PIP4K2APIP4K2BPIP4K2CHTR6PIK3CD
SCHEMBL714369 0.74 PIK3CG (0.46) ATRATRIPPIK3CDPIK3CBABL1

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
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
EP-2406255-B1 4-OXADIAZOL-2-YL-INDAZOLES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2015-04-29 EP disclosed
US-8524751-B2 4-oxadiazol-2-YL-indazoles as inhibitors of P13 kinases GlaxoSmithKline Intellecutual Property Development (GB) 2013-09-03 US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
WO-2010102958-A1 4-OXADIAZOL-2 -YL- INDAZOLES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2010-09-16 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 (2 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-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIP4K2A 1280/4885PIP4K2B 1186/4885PIP4K2C 1455/4885
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases CDK3, CDK13, AKT3 PIP4K2A 12/4885PIP4K2B 8/4885PIP4K2C 13/4885

“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.