SCHEMBL9105398

SCHEMBL9105398

Nc1ccn2nc(Br)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.41
SUV39H2 Q9H5I1 2/20 0.35
PIK3CG P48736 4/20 0.35
PIK3CD O00329 3/20 0.33
TLR9 Q9NR96 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
MAPT P10636 4/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PIK3CA P42336 1/20 0.31
NSD2 O96028 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
DYRK1A Q13627 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
Hydrochloric Acid SCHEMBL16320639 0.98 AHR (0.40) AHRSUV39H2PIK3CGPIK3CDTLR9
SCHEMBL9104806 0.80 AHR (0.61) AHRPIK3CGPIK3CDPIK3CA
SCHEMBL14007016 0.77 PIK3CG (0.38) AHRSUV39H2PIK3CGPIK3CDTLR9
SCHEMBL30842034 0.77 CYP11B1 (0.46) AHRPIK3CGPIK3CDPIK3CACYP11B1
SCHEMBL20605163 0.77 KDM4E (0.41) AHRMAPTKDM4EALDH1A1KMT2A
SCHEMBL31456654 0.77 AHR (0.41) AHR
SCHEMBL15539271 0.77 AHR (0.41) AHRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL22124375 0.76 PIK3CG (0.37) AHRSUV39H2PIK3CGPIK3CDTLR9
SCHEMBL24656052 0.73 PIK3CG (0.39) AHRSUV39H2PIK3CGPIK3CDTLR9
SCHEMBL20539687 0.73 AHR (0.38) AHRALDH1A1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963037-B1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARM CO LTD (JP) 2019-03-27 EP disclosed
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
EP-2991984-B1 PALLADIUM-CATALYZED COUPLING OF PYRAZOLE AMIDES HOFFMANN LA ROCHE (CH) 2017-03-08 EP disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-9505759-B2 Pd-catalyzed coupling of pyrazole amides HOFFMANN-LA ROCHE INC. (US) 2016-11-29 US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 US disclosed
WO-2014133046-A1 NOVEL PYRAZOLE DERIVATIVE 持田製薬株式会社 (JP) 2014-09-04 WO 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 (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 AHR 4111/4885SUV39H2 3613/4885PIK3CG 2322/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A AHR 2787/4885SUV39H2 2386/4885PIK3CG 1142/4885

“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.