SCHEMBL9104561

SCHEMBL9104561

NC(=O)c1[c]ccn2nc(-c3ccccc3)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.61
DHODH Q02127 1/20 0.51
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
EGFR P00533 1/20 0.38
AHR P35869 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 5/20 0.36
F2 P00734 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CSNK1D P48730 1/20 0.35
IKBKB O14920 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9106392 0.88 PARP1 (0.47) PARP1DHODHEGFRAHRCSNK1D
SCHEMBL9108917 0.86 PARP1 (0.46) PARP1DHODHKMT2ANPSR1CSNK1D
SCHEMBL9107989 0.86 PARP1 (0.46) PARP1EGFRKMT2AF2IKBKB
SCHEMBL9109419 0.85 PARP1 (0.45) PARP1DHODHCSNK1D
SCHEMBL9106568 0.82 RIPK2 (0.47) PARP1NR1H2NR1H3NPC1RAB9A
SCHEMBL9107534 0.80 CCNC (0.41) PARP1ADORA2AMAPK1
SCHEMBL9107219 0.80 PARP1 (0.41) PARP1DHODHNR1H2NR1H3NPC1
SCHEMBL9109267 0.79 PARP1 (0.39) PARP1DHODHCSNK1DADORA2A
SCHEMBL9108905 0.79 JAK2 (0.44) PARP1GAAKMT2ANPSR1IKBKB
SCHEMBL9108527 0.78 PARP1 (0.39) PARP1DHODHNR1H2NR1H3CSNK1D

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 15 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
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
EP-2991984-A1 Pd-CATALYZED COUPLING OF PYRAZOLE AMIDES F. Hoffmann-La Roche AG (CH) 2016-03-09 EP 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
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 PARP1 1311/4885DHODH 637/4885NR1H2 3239/4885
US-20160046628-A1 Pd-CATALYZED COUPLING OF PYRAZOLE AMIDES PDE5A, PDE10A, PDE4B PARP1 716/4885DHODH 830/4885NR1H2 1752/4885

“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.