SCHEMBL9105396

SCHEMBL9105396

Nc1ccn2nc(-c3cccc(F)c3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PDE10A Q9Y233 3/20 0.43
TAAR1 Q96RJ0 1/20 0.42
AHR P35869 2/20 0.42
AMY1A P0DUB6 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CSNK1D P48730 1/20 0.39
FYN P06241 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
DPP4 P27487 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL9104569 0.83 PDE10A (0.54) CYP11B1CYP11B2PDE10AAHRKDM4E
SCHEMBL9108923 0.83 HSD17B2 (0.48) PDE10AAHRCSNK1DFYNADORA2A
SCHEMBL9109438 0.83 AHR (0.64) CYP11B1CYP11B2PDE10AAHRAMY1A
Hydrochloric Acid SCHEMBL16341275 0.82 PDE10A (0.53) CYP11B1CYP11B2PDE10AAHRKDM4E
SCHEMBL9108532 0.80 RAD51 (0.40) PDE10AAHRKDM4EMAPTCSNK1D
SCHEMBL9104238 0.80 DYRK1A (0.47) PDE10AAHRKDM4EMAPTCSNK1D
SCHEMBL9107226 0.79 PDE10A (0.40) CYP11B1CYP11B2PDE10AAHRMAPT
SCHEMBL9104524 0.79 AHR (0.41) CYP11B1CYP11B2PDE10AAHRMAPT
SCHEMBL9105052 0.77 TGFBR1 (0.45) CYP11B1CYP11B2PDE10AAHR
SCHEMBL9108000 0.77 MEN1 (0.47) PDE10AAHRKDM4EMEN1MAPT

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 CYP11B1 478/4885CYP11B2 414/4885PDE10A 7/4885

“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.