SCHEMBL4048986

SCHEMBL4048986

CN1C[C@H](N)C(=O)Nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
BRD4 O60885 3/20 0.40
CREBBP Q92793 2/20 0.40
BRPF1 P55201 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 1/20 0.36
EPHX2 P34913 1/20 0.35
GFER P55789 1/20 0.35
AADAT Q8N5Z0 1/20 0.34
GOT1 P17174 1/20 0.34

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
SCHEMBL4048983 1.00 GAA (0.44) GAAALDH1A1KDM4EMAPTBRD4
Hydrochloric Acid SCHEMBL2237116 0.98 GAA (0.43) GAAALDH1A1KDM4EMAPTBRD4
Hydrochloric Acid SCHEMBL2237121 0.98 GAA (0.43) GAAALDH1A1KDM4EMAPTBRD4
SCHEMBL13347976 0.82 ALDH1A1 (0.47) GAAALDH1A1KDM4EMAPTBRD4
SCHEMBL11071691 0.81 GAA (0.44) GAAALDH1A1KDM4EMAPTBRD4
SCHEMBL4703417 0.81 GAA (0.44) GAAALDH1A1KDM4EMAPTBRD4
SCHEMBL4434107 0.79 GAA (0.47) GAAALDH1A1KDM4EMAPTBRD4
SCHEMBL20580064 0.78 GAA (0.42) GAAALDH1A1KDM4EMAPTBRD4
SCHEMBL7657163 0.78 GAA (0.42) GAAALDH1A1KDM4EMAPTBRD4
SCHEMBL7657174 0.78 GAA (0.42) GAAALDH1A1KDM4EMAPTBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508484-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-04-07 EP disclosed
US-10940154-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-09 US disclosed
US-10940154-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-09 US disclosed
US-10933070-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-02 US disclosed
US-10933070-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-02 US disclosed
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
US-20190262356-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-29 US disclosed
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-10 US disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 WO disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 WO disclosed
US-7994161-B2 Derivatives of 2-alkoxy-3,4,5-trihydroxy-alkyl amides, preparation and use thereof, and compositions containing the same SANOFI-AVENTIS (FR) 2011-08-09 US disclosed
US-7994161-B2 Derivatives of 2-alkoxy-3,4,5-trihydroxy-alkyl amides, preparation and use thereof, and compositions containing the same SANOFI-AVENTIS (FR) 2011-08-09 US disclosed
US-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-03-19 US disclosed
US-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-03-19 US disclosed
EP-2029555-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2009-03-04 EP disclosed
WO-2007135295-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2007-11-29 WO disclosed
WO-2007135295-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2007-11-29 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 (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-10940154-B2 Heterocyclic amides as kinase inhibitors CNKSR1, ARAF, MAP4K2 GAA 3581/4885ALDH1A1 2245/4885KDM4E 420/4885
US-20190262356-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 GAA 3581/4885ALDH1A1 2245/4885KDM4E 420/4885
US-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME CYP4B1, AADAC, ALKBH3 GAA 356/4885ALDH1A1 254/4885KDM4E 811/4885
US-10933070-B2 Heterocyclic amides as kinase inhibitors CNKSR1, ARAF, MAP4K2 GAA 3581/4885ALDH1A1 2245/4885KDM4E 420/4885
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP3K3 GAA 3524/4885ALDH1A1 2216/4885KDM4E 454/4885

“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.