SCHEMBL12326967

SCHEMBL12326967

Clc1ccc(-c2c[nH]c3ccncc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 6/20 0.56
▸ NFATC1 O95644 4/20 0.56
▸ GSK3B P49841 3/20 0.56
▸ IMPDH2 P12268 4/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ HASPIN Q8TF76 3/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ TDO2 P48775 2/20 0.48
▸ HTR6 P50406 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ JAK2 O60674 2/20 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
SCHEMBL10395252 0.83 NR4A2 (0.60) DYRK1ANFATC1GSK3BIMPDH2MAPK1
SCHEMBL1413363 0.83 HASPIN (0.65) DYRK1ANFATC1GSK3BIMPDH2MAPK1
SCHEMBL17982251 0.75 GPR84 (0.55) DYRK1AALOX5HTR6ALDH1A1JAK2
SCHEMBL11515884 0.75 ALOX5 (0.71) IMPDH2MAPK1HSD17B10ALOX5PIM1
SCHEMBL31517697 0.75 ALOX5 (0.71) IMPDH2MAPK1HSD17B10ALOX5PIM1
SCHEMBL17179577 0.75 TDO2 (0.72) DYRK1ANFATC1GSK3BIMPDH2MAPK1
SCHEMBL14059758 0.74 GSK3B (0.51) DYRK1ANFATC1GSK3BIMPDH2MAPK1
SCHEMBL12723149 0.73 CCNB2 (0.52) DYRK1ANFATC1GSK3B
SCHEMBL28323720 0.72 RPS6KA5 (0.55) DYRK1AJAK2
SCHEMBL7512814 0.72 HTR1A (0.49) DYRK1AALOX5PIM1HTR6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 — — US claimed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 — — US disclosed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 — — US disclosed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 — — US disclosed
EP-2927233-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2015-10-07 — — EP disclosed
EP-2927233-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2015-10-07 — — EP disclosed
EP-2547677-B1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE PROXIMAGEN LTD (GB) 2015-05-06 — — EP disclosed
EP-2547677-B1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE PROXIMAGEN LTD (GB) 2015-05-06 — — EP disclosed
CN-103180319-A Inhibitors of semicarabazide - sensitive amine oxidase PROXIMAGEN LTD 2013-06-26 — — CN disclosed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 — — US disclosed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 — — US disclosed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 — — US disclosed
WO-2011113798-A2 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LIMITED (GB) 2011-09-22 — — 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-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 DYRK1A 4682/4885NFATC1 4415/4885GSK3B 3629/4885
US-20130102587-A1 New Enzyme Inhibitor Compounds SERPINB1, SSB, NFKBIA DYRK1A 4354/4885NFATC1 62/4885GSK3B 2563/4885

“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.

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