SCHEMBL2969846

SCHEMBL2969846

COc1cc(C(=O)NN)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
CTSA P10619 1/20 0.51
KDM4E B2RXH2 6/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MPO P05164 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2A6 P11509 1/20 0.50
LOX P28300 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
MAPT P10636 3/20 0.47
ALDH1A1 P00352 7/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL31384302 1.00 KCNK3 (0.57) KCNK3KCNK9CTSAKDM4ECYP1A2
SCHEMBL2993048 0.85 KDM4E (0.49) KCNK3KCNK9CTSAKDM4ECYP1A2
SCHEMBL31354767 0.85 KCNK3 (0.58) KCNK3KCNK9CTSAKDM4ELOX
SCHEMBL1515813 0.85 KCNK3 (0.58) KCNK3KCNK9CTSAKDM4ELOX
SCHEMBL13570731 0.83 KCNK3 (0.57) KCNK3KCNK9CTSAKDM4ELOX
SCHEMBL11817959 0.83 KCNK3 (0.53) KCNK3KCNK9CTSALOXLOXL2
SCHEMBL30859586 0.82 CTSA (0.56) KCNK3KCNK9CTSAKDM4EALDH1A1
SCHEMBL2798344 0.82 CTSA (0.56) KCNK3KCNK9CTSAKDM4EALDH1A1
SCHEMBL25166967 0.82 KDM4E (0.49) KCNK3KCNK9CTSAKDM4ECYP1A2
SCHEMBL29195058 0.81 CTSA (0.53) KCNK3KCNK9CTSAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344016-B2 Bromotriazole intermediates AMGEN INC. (US) 2019-07-09 US disclosed
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES AMGEN INC. (US) 2019-04-04 US disclosed
US-10221162-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2019-03-05 US disclosed
US-20180319773-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-11-08 US disclosed
US-10058550-B2 Methods of treating heart failure AMGEN INC. (US) 2018-08-28 US disclosed
US-9868721-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2018-01-16 US disclosed
US-9845310-B2 Intermediates for preparing triazole agonists of the APJ receptor AMGEN INC. (US) 2017-12-19 US disclosed
US-20170281625-A1 METHODS OF TREATING HEART FAILURE AMGEN INC. 2017-10-05 US disclosed
US-9751864-B2 Methods for preparing triazole agonists of the APJ receptor AMGEN INC. (US) 2017-09-05 US disclosed
US-9745286-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2017-08-29 US disclosed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259926-A1 mGluR5 modulators III ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259926-A1 mGluR5 modulators III ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259926-A1 mGluR5 modulators III ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1716143-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-02-02 US disclosed
WO-2005080386-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 WO 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 (10 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-20070259926-A1 mGluR5 modulators III GRM5, GRM3, GRIK5 KCNK3 665/4885KCNK9 1274/4885CTSA 3205/4885
US-20180319773-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 KCNK3 544/4885KCNK9 219/4885CTSA 4168/4885
US-20070259916-A1 mGluR5 modulators II GRM5, GRM2, GRIK5 KCNK3 1356/4885KCNK9 1371/4885CTSA 3324/4885
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES APH1A, BRDT, APH1B KCNK3 4466/4885KCNK9 4665/4885CTSA 3011/4885
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 KCNK3 619/4885KCNK9 1173/4885CTSA 4725/4885
US-10058550-B2 Methods of treating heart failure FABP3, TNNI3, APLNR KCNK3 295/4885KCNK9 354/4885CTSA 4180/4885
US-10344016-B2 Bromotriazole intermediates APH1A, BRDT, APH1B KCNK3 4466/4885KCNK9 4665/4885CTSA 3011/4885
US-10221162-B2 Triazole agonists of the APJ receptor TBXA2R, AGTR1, AGTR2 KCNK3 544/4885KCNK9 219/4885CTSA 4168/4885
US-20170281625-A1 METHODS OF TREATING HEART FAILURE FABP3, TNNI3, APLNR KCNK3 295/4885KCNK9 354/4885CTSA 4180/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 KCNK3 597/4885KCNK9 1122/4885CTSA 4694/4885

“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.