SCHEMBL3431450

SCHEMBL3431450

Cc1ccc(CC(NC2=NCCN2)c2cccc(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 4/20 0.46
▸ ADRA2A P08913 5/20 0.40
▸ ADRA1A P35348 5/20 0.40
▸ ADRA2B P18089 4/20 0.40
▸ ADRA2C P18825 4/20 0.40
▸ ADRA1D P25100 4/20 0.40
▸ ADRA1B P35368 4/20 0.40
▸ ITGB3 P05106 1/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ SLC22A3 O75751 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ KMT2A Q03164 1/20 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
SCHEMBL4106896 0.90 WDR5 (0.48) WDR5ADRA2AADRA1AADRA2BADRA2C
SCHEMBL4114349 0.90 WDR5 (0.48) WDR5ADRA2AADRA1AADRA2BADRA2C
SCHEMBL3431955 0.83 WDR5 (0.43) WDR5ADRA2AADRA1AADRA2BADRA2C
SCHEMBL14042330 0.83 SLC6A2 (0.46) WDR5ADRA2AADRA1AADRA2BADRA2C
Iodide SCHEMBL949559 0.82 WDR5 (0.46) WDR5ADRA2AADRA1AADRA2BADRA2C
SCHEMBL4785397 0.81 PTGIR (0.47) WDR5ADRA2AADRA1AADRA2BADRA2C
SCHEMBL4106143 0.79 WDR5 (0.41) WDR5ADRA2AADRA1AADRA2BADRA2C
SCHEMBL3430372 0.79 WDR5 (0.42) WDR5CYP2D6HTR7PTGIR
SCHEMBL3415416 0.78 ADRA2A (0.40) ADRA2AADRA1AADRA2BADRA2CCYP2D6
SCHEMBL3414408 0.78 LMNA (0.44) LMNACYP2C19MEN1CYP2C9KMT2A

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 5 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
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 3275/4885ADRA2A 3/4885ADRA1A 7/4885

“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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