SCHEMBL3430372

SCHEMBL3430372

COc1ccccc1CC(NC1=NCCN1)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 8/20 0.42
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PTGIR P43119 1/20 0.39
▸ ADRB3 P13945 4/20 0.38
▸ ADRB1 P08588 3/20 0.38
▸ ADRB2 P07550 2/20 0.38

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
SCHEMBL14042630 0.88 CYP2D6 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6HTR7
SCHEMBL3431955 0.86 WDR5 (0.43) WDR5CYP2D6HTR7
SCHEMBL4106143 0.84 WDR5 (0.41) WDR5SLC6A2SLC6A4CYP2D6HTR7
SCHEMBL4788240 0.82 ADRA2A (0.44) SLC6A2SLC6A4SLC6A3CYP2D6HTR7
SCHEMBL14042571 0.82 PTGIR (0.39) WDR5SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4114349 0.82 WDR5 (0.48) WDR5SLC6A2SLC6A4CYP2D6HTR7
SCHEMBL3414421 0.80 TAAR1 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6HTR7
SCHEMBL14042623 0.79 PTGIR (0.47) WDR5PTGIR
SCHEMBL3431450 0.79 WDR5 (0.46) WDR5CYP2D6HTR7PTGIR
SCHEMBL4106896 0.78 WDR5 (0.48) WDR5SLC6A2SLC6A4CYP2D6HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102036664-B Selective subtype alpha 2 adrenergic agents and methods of use thereof ALLERGAN INC 2012-11-28 — — CN disclosed
CN-102036664-A Selective subtype alpha 2 adrenergic agents and methods of use thereof ALLERGAN INC 2011-04-27 — — CN disclosed
EP-2265269-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF Allergan, Inc. (US) 2010-12-29 — — EP disclosed
WO-2009120648-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-10-01 — — WO disclosed
WO-2009120648-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-10-01 — — WO disclosed
US-20090239918-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-09-24 — — US disclosed
US-20090239918-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-09-24 — — US disclosed
US-20090239918-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-09-24 — — 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 (1 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-20090239918-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A WDR5 3275/4885SLC6A2 60/4885SLC6A4 283/4885

“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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