SCHEMBL9108919

SCHEMBL9108919

CC(C)c1nc2cc(N)ccn2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.35
PIK3CD O00329 4/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
TLR9 Q9NR96 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRKCI P41743 1/20 0.33
PIK3CA P42336 1/20 0.32
AHR P35869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NSD2 O96028 1/20 0.32
NAMPT P43490 1/20 0.32
HAVCR2 Q8TDQ0 2/20 0.31
SUV39H2 Q9H5I1 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
SCHEMBL798669 0.81 AHR (0.33) ALDH1A1NPC1RAB9AL3MBTL1AHR
SCHEMBL18626423 0.79 HAVCR2 (0.39) ALDH1A1L3MBTL1AHRKDM4ENAMPT
SCHEMBL9109466 0.79 AHR (0.53) AHRNAMPT
SCHEMBL26008734 0.77 PIK3CG (0.30) PIK3CG
SCHEMBL25825583 0.77 PDE10A (0.32) PIK3CGPIK3CDPIK3CAAHRNAMPT
SCHEMBL25848348 0.77 NAMPT (0.35) MAPTNPC1RAB9AAHRKDM4E
SCHEMBL14007016 0.77 PIK3CG (0.38) PIK3CGPIK3CDALDH1A1MAPTTLR9
Hydrochloric Acid SCHEMBL22124375 0.75 PIK3CG (0.37) PIK3CGPIK3CDALDH1A1MAPTTLR9
SCHEMBL20985949 0.73 NOS2 (0.36) PIK3CGPIK3CDTLR9TLR7
SCHEMBL9105398 0.73 AHR (0.41) PIK3CGPIK3CDALDH1A1MAPTTLR9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2649070-A1 TRIAZOLOPYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-16 EP disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 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-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE5A, PDE3A, PDE3B PIK3CG 2322/4885PIK3CD 1656/4885ALDH1A1 511/4885

“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.