SCHEMBL1922328

SCHEMBL1922328

Cc1ccc(-c2n[nH]c3ccncc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 7/20 0.56
MAPK1 P28482 6/20 0.55
MAPKAPK3 Q16644 5/20 0.55
MAPK6 Q16659 5/20 0.55
MAPKAPK2 P49137 4/20 0.55
MAPKAPK5 Q8IW41 3/20 0.55
MKNK1 Q9BUB5 1/20 0.47
ACHE P22303 1/20 0.47
LRRK2 Q5S007 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
IDO1 P14902 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CLK2 P49760 2/20 0.44
CLK3 P49761 2/20 0.44
DYRK1A Q13627 2/20 0.44
PIM1 P11309 2/20 0.44
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9258940 0.85 MKNK1 (0.57) MAP2K4MAPK1MKNK1LRRK2IDO1
SCHEMBL1921806 0.83 MKNK1 (0.47) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL1922154 0.83 MAPK14 (0.51) MAP2K4MAPK1MAPK6MKNK1ACHE
SCHEMBL9251358 0.83 CLK2 (0.54) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL1513103 0.82 IDO1 (0.63) MAP2K4MKNK1ACHELRRK2IDO1
Hydrochloric Acid SCHEMBL9260992 0.81 MKNK1 (0.46) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL2242478 0.79 LRRK2 (0.59) MKNK1LRRK2IDO1
SCHEMBL4480025 0.77 ALDH1A1 (0.71) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL27817994 0.76 MAPT (0.59) MAPK1MKNK1LRRK2MEN1KMT2A
SCHEMBL254869 0.76 ACHE (0.46) MAP2K4MKNK1ACHELRRK2IDO1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107150-A1 New Compounds II PROXIMAGEN LTD (GB) 2014-04-17 US disclosed
US-20140107150-A1 New Compounds II PROXIMAGEN LTD (GB) 2014-04-17 US disclosed
US-20140107150-A1 New Compounds II PROXIMAGEN LTD (GB) 2014-04-17 US disclosed
US-8633318-B2 Compounds for treatment or prevention of inflammation, an inflammatory disease, or an immune or an autoimmune disorder PROXIMAGEN LTD (GB) 2014-01-21 US disclosed
US-8633318-B2 Compounds for treatment or prevention of inflammation, an inflammatory disease, or an immune or an autoimmune disorder PROXIMAGEN LTD (GB) 2014-01-21 US disclosed
US-8633318-B2 Compounds for treatment or prevention of inflammation, an inflammatory disease, or an immune or an autoimmune disorder PROXIMAGEN LTD (GB) 2014-01-21 US disclosed
EP-2328895-B1 Pyrazolo[4,3-c]pyridine compounds and their use as inhibitors of SSAO PROXIMAGEN LTD (GB) 2013-03-27 EP disclosed
EP-2328895-B1 Pyrazolo[4,3-c]pyridine compounds and their use as inhibitors of SSAO PROXIMAGEN LTD (GB) 2013-03-27 EP disclosed
US-20110195992-A1 NEW COMPOUNDS II PROXIMAGEN LIMITED (GB) 2011-08-11 US disclosed
US-20110195992-A1 NEW COMPOUNDS II PROXIMAGEN LIMITED (GB) 2011-08-11 US disclosed
US-20110195992-A1 NEW COMPOUNDS II PROXIMAGEN LIMITED (GB) 2011-08-11 US disclosed
EP-2328895-A1 NEW COMPOUNDS II Proximagen Limited (GB) 2011-06-08 EP disclosed
WO-2010031791-A1 NEW COMPOUNDS II BIOVITRUM AB (PUBL) (SE) 2010-03-25 WO disclosed
WO-2010031791-A1 NEW COMPOUNDS II BIOVITRUM AB (PUBL) (SE) 2010-03-25 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 (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-20110195992-A1 NEW COMPOUNDS II SSB, NFKBIA, ALOX15B MAP2K4 3123/4885MAPK1 2598/4885MAPKAPK3 3266/4885
US-20140107150-A1 New Compounds II SSB, NFKBIA, ALOX15B MAP2K4 3123/4885MAPK1 2598/4885MAPKAPK3 3266/4885

“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.