SCHEMBL9104427

SCHEMBL9104427

CCN(C)c1nc2cc(Br)ccn2n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.49
PIK3CD O00329 1/20 0.33
PIK3CG P48736 1/20 0.33
DPP4 P27487 1/20 0.32
ROCK2 O75116 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
SCHEMBL9107317 0.85 AHR (0.53) AHRPIK3CG
SCHEMBL9108306 0.84 AHR (0.46) AHRROCK2
SCHEMBL21154489 0.82 AHR (0.47) AHR
SCHEMBL9104565 0.81 PIK3CG (0.38) PIK3CDPIK3CGDPP4
SCHEMBL9105474 0.81 AHR (0.46) AHR
SCHEMBL20472465 0.78 AHR (0.46) AHRROCK2
SCHEMBL20619998 0.76 AHR (0.53) AHRROCK2
SCHEMBL31096177 0.73 AHR (0.57) AHR
SCHEMBL616699 0.73 AHR (0.57) AHRPIK3CDPIK3CGROCK2
SCHEMBL9104806 0.72 AHR (0.61) AHRPIK3CDPIK3CG

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 AHR 4111/4885PIK3CD 1656/4885PIK3CG 2322/4885

“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.