SCHEMBL9107093

SCHEMBL9107093

CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.58
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.43
CYP2C19 P33261 1/20 0.43
CRHR2 Q13324 1/20 0.43
CSNK1D P48730 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
ADRB2 P07550 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9105327 0.91 PDE10A (0.62) PDE10ASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL9109359 0.91 CSNK1D (0.49) PDE10AMAPTTP53ALDH1A1CSNK1D
SCHEMBL9105465 0.91 PDE10A (0.48) PDE10ASMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL9104926 0.89 PDE10A (0.59) PDE10ASMN1; SMN2MAPTMEN1LMNA
SCHEMBL15923235 0.88 PDE10A (0.45) PDE10ASMN1; SMN2MAPTTP53CSNK1D
SCHEMBL9104863 0.88 PDE10A (0.74) PDE10AMAPTALDH1A1HPGD
SCHEMBL9107369 0.88 PDE10A (0.60) PDE10A
SCHEMBL9107517 0.88 PDE10A (0.47) PDE10ASMN1; SMN2MAPTTP53HTT
SCHEMBL9107742 0.87 PDE10A (0.44) PDE10ASMN1; SMN2KDM4E
SCHEMBL14811755 0.87 PDE10A (0.78) PDE10A

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 22 patents — showing the first 20. 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
EP-2991984-B1 PALLADIUM-CATALYZED COUPLING OF PYRAZOLE AMIDES HOFFMANN LA ROCHE (CH) 2017-03-08 EP disclosed
US-9505759-B2 Pd-catalyzed coupling of pyrazole amides HOFFMANN-LA ROCHE INC. (US) 2016-11-29 US disclosed
US-9505759-B2 Pd-catalyzed coupling of pyrazole amides HOFFMANN-LA ROCHE INC. (US) 2016-11-29 US disclosed
US-20160046628-A1 Pd-CATALYZED COUPLING OF PYRAZOLE AMIDES HOFFMANN-LA ROCHE INC. (US) 2016-02-18 US disclosed
US-20160046628-A1 Pd-CATALYZED COUPLING OF PYRAZOLE AMIDES HOFFMANN-LA ROCHE INC. (US) 2016-02-18 US disclosed
WO-2014177493-A1 Pd-CATALYZED COUPLING OF PYRAZOLE AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO disclosed
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 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 (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 PDE10A 7/4885SMN1; SMN2 2745/4885MAPT 3604/4885
US-20160046628-A1 Pd-CATALYZED COUPLING OF PYRAZOLE AMIDES PDE5A, PDE10A, PDE4B PDE10A 2/4885SMN1; SMN2 3492/4885MAPT 3919/4885

“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.