SCHEMBL9105960

SCHEMBL9105960

CN(C)c1nc2cc(N)ccn2n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.39
SMPD3 Q9NY59 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TLR9 Q9NR96 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
PIK3CD O00329 4/20 0.32
PIK3CA P42336 1/20 0.32
AHR P35869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NSD2 O96028 1/20 0.32
MAPT P10636 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
LMNA P02545 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
PRKCI P41743 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
SCHEMBL9104565 0.85 PIK3CG (0.38) PIK3CGTLR9TLR7PIK3CDPIK3CA
SCHEMBL9109851 0.82 APP (0.33) PIK3CGPIK3CDMAPT
SCHEMBL9106453 0.82 PDE10A (0.36) PIK3CGSMPD3ALDH1A1
Hydrochloric Acid SCHEMBL9108771 0.81 APP (0.32) PIK3CGPIK3CDMAPT
Hydrochloric Acid SCHEMBL9103180 0.81 PDE10A (0.36) PIK3CGALDH1A1
SCHEMBL9107317 0.79 AHR (0.53) PIK3CGEGLN2AHRLMNA
SCHEMBL14007016 0.77 PIK3CG (0.38) PIK3CGALDH1A1TLR9TLR7PIK3CD
Hydrochloric Acid SCHEMBL22124375 0.75 PIK3CG (0.37) PIK3CGALDH1A1TLR9TLR7PIK3CD
SCHEMBL14810896 0.74 PIK3CG (0.46) PIK3CGEGLN2ALDH1A1PIK3CDPIK3CA
SCHEMBL20986015 0.73 ALDH1A1 (0.40) PIK3CGALDH1A1PIK3CDKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed
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 2322/4885SMPD3 68/4885EGLN2 2464/4885

“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.