SCHEMBL9109849

SCHEMBL9109849

Brc1ccn2nc(N3CCOCC3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.47
MET P08581 1/20 0.42
EGFR P00533 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 4/20 0.38
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LRRK2 Q5S007 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMPD3 Q9NY59 1/20 0.36

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
SCHEMBL9107878 0.86 AHR (0.50) AHRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL9107073 0.82 PIK3CA (0.46) METKMT2AALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL9108118 0.81 PIK3CA (0.44) METKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL14811613 0.78 AHR (0.46) AHRMETEGFRLMNAKMT2A
SCHEMBL31096177 0.77 AHR (0.57) AHRHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL21162487 0.77 PRKDC (0.47) METLMNAHTTKMT2AMAPK1
SCHEMBL31489689 0.71 AHR (0.50) AHRHTTMAPK1ALDH1A1NPC1
SCHEMBL9104806 0.70 AHR (0.61) AHRPIK3CA
SCHEMBL31458626 0.70 AHR (0.43) AHRMAPK1
SCHEMBL9109695 0.69 PRKDC (0.48) LMNAKMT2AMAPTPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3735411-B1 1,3,4,5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER`S DISEASE AC IMMUNE SA (CH) 2024-07-10 EP disclosed
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2023-11-14 US disclosed
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2023-11-14 US disclosed
US-20200148679-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2020-05-14 US disclosed
US-10633383-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2020-04-28 US disclosed
WO-2019134978-A1 1, 3, 4, 5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER'S DISEASE AC IMMUNE SA (CH) 2019-07-11 WO disclosed
US-20190211012-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2019-07-11 US disclosed
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
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 (5 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-20190211012-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, MAP1LC3B AHR 4326/4885MET 3277/4885EGFR 4535/4885
US-10633383-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 AHR 4131/4885MET 3173/4885EGFR 4514/4885
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE5A, PDE3A, PDE3B AHR 4111/4885MET 4423/4885EGFR 3600/4885
US-20200148679-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, MAP1LC3B AHR 4326/4885MET 3277/4885EGFR 4535/4885
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 AHR 4131/4885MET 3173/4885EGFR 4514/4885

“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.