SCHEMBL9107539

SCHEMBL9107539

Cc1cc(-c2nc3cc(N)ccn3n2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.45
AHR P35869 1/20 0.41
HTT P42858 1/20 0.38
MAP4K4 O95819 2/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
DYRK1A Q13627 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CB P42338 1/20 0.35
ADORA2A P29274 1/20 0.34
KCNT1 Q5JUK3 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL9104524 0.83 AHR (0.41) PDE10AAHRMAP4K4ADORA2AS1PR1
SCHEMBL9106396 0.81 AHR (0.50) PDE10AAHRDYRK1APIK3CB
SCHEMBL9104569 0.76 PDE10A (0.54) PDE10AAHRHTTMEN1KMT2A
SCHEMBL9107076 0.75 PIK3CG (0.43) PDE10AAHRPIK3CBADORA2A
Hydrochloric Acid SCHEMBL16341275 0.75 PDE10A (0.53) PDE10AAHRHTTMEN1KMT2A
SCHEMBL9105396 0.73 CYP11B1 (0.46) PDE10AAHRMEN1KMT2AADORA2A
SCHEMBL9108000 0.73 MEN1 (0.47) PDE10AAHRHTTMEN1KMT2A
SCHEMBL9108923 0.73 HSD17B2 (0.48) PDE10AAHRADORA2A
SCHEMBL9104238 0.73 DYRK1A (0.47) PDE10AAHRDYRK1AADORA2A
SCHEMBL14007016 0.72 PIK3CG (0.38) PDE10AAHRHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 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 PDE10A 7/4885AHR 4111/4885HTT 3327/4885

“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.