SCHEMBL9108532

SCHEMBL9108532

Nc1ccn2nc(-c3cccc(OCCF)c3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.40
PDE10A Q9Y233 3/20 0.39
MAPT P10636 1/20 0.38
APP P05067 2/20 0.37
AHR P35869 2/20 0.36
CHRNB2 P17787 3/20 0.35
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
CHRNA7 P36544 3/20 0.35
CHRNA4 P43681 3/20 0.35
CSNK1D P48730 2/20 0.34
S1PR1 P21453 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
IGF1R P08069 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOB P27338 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
SCHEMBL9107226 0.91 PDE10A (0.40) PDE10AMAPTAHRCSNK1DS1PR1
SCHEMBL9104238 0.82 DYRK1A (0.47) PDE10AMAPTAHRCSNK1DTSHR
SCHEMBL9105396 0.80 CYP11B1 (0.46) PDE10AMAPTAHRCSNK1DKDM4E
SCHEMBL9108661 0.79 CYP11B2 (0.41) RAD51PDE10AMAPTAHRMAOB
SCHEMBL9104569 0.75 PDE10A (0.54) PDE10AMAPTAHRKDM4ESMN1; SMN2
SCHEMBL9108923 0.75 HSD17B2 (0.48) PDE10AAHRCSNK1D
Hydrochloric Acid SCHEMBL16341275 0.74 PDE10A (0.53) PDE10AMAPTAHRKDM4ESMN1; SMN2
SCHEMBL9104524 0.71 AHR (0.41) PDE10AMAPTAHRS1PR1
SCHEMBL9108527 0.70 PARP1 (0.39) RAD51CSNK1DSMN1; SMN2
SCHEMBL16934908 0.70 TSHR (0.61) MAPTAPPTSHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP claimed
EP-2649070-A1 TRIAZOLOPYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-16 EP claimed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US claimed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO claimed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US claimed
US-20160031878-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-02-04 US disclosed
EP-2951176-A1 RADIOLABELED COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-12-09 EP disclosed
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
WO-2014118039-A1 RADIOLABELED COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-08-07 WO 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
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

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-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE5A, PDE3A, PDE3B RAD51 4727/4885PDE10A 7/4885MAPT 3604/4885
US-20160031878-A1 RADIOLABELED COMPOUNDS SSTR3, SSTR1, NPSR1 RAD51 688/4885PDE10A 1275/4885MAPT 3279/4885

“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.