SCHEMBL1921806

SCHEMBL1921806

Clc1ccc(-c2n[nH]c3ccncc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.47
IDO1 P14902 3/20 0.46
LRRK2 Q5S007 1/20 0.46
GCGR P47871 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAP2K4 P45985 3/20 0.43
CSNK2A2 P19784 3/20 0.43
CSNK2B P67870 3/20 0.43
CLK2 P49760 2/20 0.43
CLK3 P49761 2/20 0.43

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 SCHEMBL9260992 0.98 MKNK1 (0.46) MKNK1IDO1LRRK2GCGRKDM4E
SCHEMBL9258940 0.85 MKNK1 (0.57) MKNK1IDO1LRRK2KDM4EALDH1A1
SCHEMBL1922328 0.83 MAP2K4 (0.56) MKNK1IDO1LRRK2KDM4EALDH1A1
SCHEMBL9251358 0.83 CLK2 (0.54) MKNK1IDO1LRRK2GCGRKDM4E
SCHEMBL1922154 0.83 MAPK14 (0.51) MKNK1IDO1LRRK2GCGRALDH1A1
SCHEMBL1513103 0.82 IDO1 (0.63) MKNK1IDO1LRRK2KDM4EALDH1A1
SCHEMBL2242478 0.79 LRRK2 (0.59) MKNK1IDO1LRRK2MAPK13MAPK12
SCHEMBL10535374 0.77 MKNK1 (0.61) MKNK1LRRK2MAP2K4MAPK1
SCHEMBL5381079 0.77 IDO1 (0.71) MKNK1IDO1LRRK2KDM4EALDH1A1
SCHEMBL27817994 0.76 MAPT (0.59) MKNK1IDO1LRRK2ALDH1A1HPGD

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
US-5264576-A Antiserotonin agents, antidepressants and obsessive-compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-23 US claimed
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 EP disclosed
WO-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 WO 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-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
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
EP-0594001-B1 Pyrazolo 4,3-c pyridines, a process for their preparation and their use as serotonin reuptake inhibitors AVENTIS PHARMA INC (US) 2000-08-16 EP disclosed
US-5428169-A Antidepressants, treating compulsive disorders, stuttering, trichotillomania HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-06-27 US disclosed
US-5380847-A Reaction of 1-methylpiperidine-4-hydrazine, ketone and titanium isopropoxide to form hydrazone HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1995-01-10 US disclosed
EP-0594001-A1 Pyrazolo 4,3-c pyridines, a process for their preparation and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-04-27 EP disclosed
US-5296491-A Pyrazolo[4,3-c]pyridines and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-22 US disclosed
US-5264576-A Antiserotonin agents, antidepressants and obsessive-compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-23 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-20110195992-A1 NEW COMPOUNDS II SSB, NFKBIA, ALOX15B MKNK1 4110/4885IDO1 72/4885LRRK2 2409/4885
US-20140107150-A1 New Compounds II SSB, NFKBIA, ALOX15B MKNK1 4110/4885IDO1 72/4885LRRK2 2409/4885

“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.